(2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C37H67N3 — CID 155331882

IUPAC(2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCNCC1CCCC2C[C@H](N(C)CC3CCC4CC(CCNCC5CCC6C[C@H](C)CCC56)CCC4C3)CCC12
InChIInChI=1S/C37H67N3/c1-26-7-15-36-32(19-26)12-13-34(36)24-39-18-17-27-8-10-30-21-28(9-11-29(30)20-27)25-40(3)35-14-16-37-31(22-35)5-4-6-33(37)23-38-2/h26-39H,4-25H2,1-3H3/t26-,27?,28?,29?,30?,31?,32?,33?,34?,35-,36?,37?/m1/s1
InChIKeyPWJCTNRDWAZUTQ-GHYATKHESA-N
MW553.96 g/mol
LogP8.00
Rot. Bonds10

About (2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

(2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 155331882) has the molecular formula C37H67N3 and a molecular weight of 553.96 g/mol. Its IUPAC name is (2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID155331882
Molecular FormulaC37H67N3
Molecular Weight553.96 g/mol
Exact Mass553.53
IUPAC Name(2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCNCC1CCCC2C[C@H](N(C)CC3CCC4CC(CCNCC5CCC6C[C@H](C)CCC56)CCC4C3)CCC12
InChIInChI=1S/C37H67N3/c1-26-7-15-36-32(19-26)12-13-34(36)24-39-18-17-27-8-10-30-21-28(9-11-29(30)20-27)25-40(3)35-14-16-37-31(22-35)5-4-6-33(37)23-38-2/h26-39H,4-25H2,1-3H3/t26-,27?,28?,29?,30?,31?,32?,33?,34?,35-,36?,37?/m1/s1
InChIKeyPWJCTNRDWAZUTQ-GHYATKHESA-N
XLogP8.00
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.96
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

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Related Compounds

(2R)-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)-N-methyl-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 166996543
N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine
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1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
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1-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697
N-(cyclopropylmethyl)-N,3-dimethylcyclopentan-1-amine
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N-[[2-(3-ethylcyclohexyl)cyclohexyl]methyl]propan-1-amine
CID 81026761
1-[2-(3,4-dimethylcyclohexyl)cyclobutyl]-N-methylmethanamine
CID 81017273
1-(2-cyclohexylcyclobutyl)-N-methylmethanamine
CID 81017372
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1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950
3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 20683773
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of (2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 155331882) is (2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for (2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CNCC1CCCC2C[C@H](N(C)CC3CCC4CC(CCNCC5CCC6C[C@H](C)CCC56)CCC4C3)CCC12.
What is the InChIKey of (2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is PWJCTNRDWAZUTQ-GHYATKHESA-N. The full InChI is InChI=1S/C37H67N3/c1-26-7-15-36-32(19-26)12-13-34(36)24-39-18-17-27-8-10-30-21-28(9-11-29(30)20-27)25-40(3)35-14-16-37-31(22-35)5-4-6-33(37)23-38-2/h26-39H,4-25H2,1-3H3/t26-,27?,28?,29?,30?,31?,32?,33?,34?,35-,36?,37?/m1/s1.
What are the key properties of (2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
(2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 553.96 g/mol, XLogP of 8.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 155331882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).