2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine

C19H36N2 — CID 102728306

IUPAC2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN2CCC[C@H]3CCCC[C@H]32)C1
InChIInChI=1S/C19H36N2/c1-14(2)16-9-10-18(20)17(12-16)13-21-11-5-7-15-6-3-4-8-19(15)21/h14-19H,3-13,20H2,1-2H3/t15-,16?,17?,18?,19-/m1/s1
InChIKeyIWHVJCXUDCHMCY-YQAWAAAYSA-N
MW292.51 g/mol
LogP4.04
Rot. Bonds3

About 2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine

2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 102728306) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID102728306
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN2CCC[C@H]3CCCC[C@H]32)C1
InChIInChI=1S/C19H36N2/c1-14(2)16-9-10-18(20)17(12-16)13-21-11-5-7-15-6-3-4-8-19(15)21/h14-19H,3-13,20H2,1-2H3/t15-,16?,17?,18?,19-/m1/s1
InChIKeyIWHVJCXUDCHMCY-YQAWAAAYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine
CID 62611368
3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62704351
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine
CID 82751935
2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 55208973
[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789598
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79853185
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclohexan-1-amine
CID 63044908
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine
CID 79570627
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046297
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627661
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-cyclopropylethanamine
CID 102725967
1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol
CID 62943988

Frequently Asked Questions

What is the IUPAC name of 2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 102728306) is 2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(CN2CCC[C@H]3CCCC[C@H]32)C1.
What is the InChIKey of 2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is IWHVJCXUDCHMCY-YQAWAAAYSA-N. The full InChI is InChI=1S/C19H36N2/c1-14(2)16-9-10-18(20)17(12-16)13-21-11-5-7-15-6-3-4-8-19(15)21/h14-19H,3-13,20H2,1-2H3/t15-,16?,17?,18?,19-/m1/s1.
What are the key properties of 2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 102728306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).