1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine

C19H36N2 — CID 102728299

IUPAC1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1(CN2CCC[C@H]3CCCC[C@H]32)CCCCCC1
InChIInChI=1S/C19H36N2/c1-20-15-19(12-6-2-3-7-13-19)16-21-14-8-10-17-9-4-5-11-18(17)21/h17-18,20H,2-16H2,1H3/t17-,18-/m1/s1
InChIKeyBTKPOKJROHALMU-QZTJIDSGSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds4

About 1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine

1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine (PubChem CID 102728299) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine
PubChem CID102728299
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1(CN2CCC[C@H]3CCCC[C@H]32)CCCCCC1
InChIInChI=1S/C19H36N2/c1-20-15-19(12-6-2-3-7-13-19)16-21-14-8-10-17-9-4-5-11-18(17)21/h17-18,20H,2-16H2,1H3/t17-,18-/m1/s1
InChIKeyBTKPOKJROHALMU-QZTJIDSGSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine with MolForge

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Related Compounds

1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclohexyl]-N-methylmethanamine
CID 102728281
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]-N-methylmethanamine
CID 82752685
N-[[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclopentyl]methyl]propan-2-amine
CID 102728272
1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine
CID 102728271
(4aR,8aR)-1-[[1-(bromomethyl)cyclohexyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727759
[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]methanol
CID 102728342
N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine
CID 82751479
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine
CID 82751322
1-[1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 62257745
1-[[1-(bromomethyl)cycloheptyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319651
N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62391325
N,N-dimethyl-1-[1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanamine
CID 62888681

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine (CID 102728299) is 1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine is CNCC1(CN2CCC[C@H]3CCCC[C@H]32)CCCCCC1.
What is the InChIKey of 1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine?
The InChIKey is BTKPOKJROHALMU-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H36N2/c1-20-15-19(12-6-2-3-7-13-19)16-21-14-8-10-17-9-4-5-11-18(17)21/h17-18,20H,2-16H2,1H3/t17-,18-/m1/s1.
What are the key properties of 1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine?
1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine has a molecular weight of 292.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 102728299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).