(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

C24H44N2 — CID 166996543

IUPAC(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
SMILESCNCC1CCCC2C[C@H](N(C)CC3CCC4CCCCC4C3)CCC12
InChIInChI=1S/C24H44N2/c1-25-16-22-9-5-8-21-15-23(12-13-24(21)22)26(2)17-18-10-11-19-6-3-4-7-20(19)14-18/h18-25H,3-17H2,1-2H3/t18?,19?,20?,21?,22?,23-,24?/m1/s1
InChIKeyDQIZEMBJQAMXHG-ATMQRDSJSA-N
MW360.63 g/mol
LogP5.33
Rot. Bonds5

About (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

(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 (PubChem CID 166996543) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166996543
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name(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
SMILESCNCC1CCCC2C[C@H](N(C)CC3CCC4CCCCC4C3)CCC12
InChIInChI=1S/C24H44N2/c1-25-16-22-9-5-8-21-15-23(12-13-24(21)22)26(2)17-18-10-11-19-6-3-4-7-20(19)14-18/h18-25H,3-17H2,1-2H3/t18?,19?,20?,21?,22?,23-,24?/m1/s1
InChIKeyDQIZEMBJQAMXHG-ATMQRDSJSA-N
XLogP5.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (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 with MolForge

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Related Compounds

(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
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950
1-(2-cyclohexylcyclobutyl)-N-methylmethanamine
CID 81017372
1-(2-cyclohexylcycloheptyl)-N-methylmethanamine
CID 81025955
3-[[cyclopentyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008623
1-(3-cyclopentylcyclooctyl)-N-methylmethanamine;methane
CID 173093109
1-[2-(3,4-dimethylcyclohexyl)cyclobutyl]-N-methylmethanamine
CID 81017273
3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine
CID 79643663
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 81004867
1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine
CID 79618494
1-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697
1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025745

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CNCC1CCCC2C[C@H](N(C)CC3CCC4CCCCC4C3)CCC12.
What is the InChIKey of (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?
The InChIKey is DQIZEMBJQAMXHG-ATMQRDSJSA-N. The full InChI is InChI=1S/C24H44N2/c1-25-16-22-9-5-8-21-15-23(12-13-24(21)22)26(2)17-18-10-11-19-6-3-4-7-20(19)14-18/h18-25H,3-17H2,1-2H3/t18?,19?,20?,21?,22?,23-,24?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 360.63 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166996543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).