2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine

C19H36N2 — CID 140698731

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine
SMILESCNCC(CC1CCCCC1)C1CCC2CCCNC2C1
InChIInChI=1S/C19H36N2/c1-20-14-18(12-15-6-3-2-4-7-15)17-10-9-16-8-5-11-21-19(16)13-17/h15-21H,2-14H2,1H3
InChIKeyNIVMJXZQWQGQES-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.96
Rot. Bonds5

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine

2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine (PubChem CID 140698731) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine
PubChem CID140698731
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine
SMILESCNCC(CC1CCCCC1)C1CCC2CCCNC2C1
InChIInChI=1S/C19H36N2/c1-20-14-18(12-15-6-3-2-4-7-15)17-10-9-16-8-5-11-21-19(16)13-17/h15-21H,2-14H2,1H3
InChIKeyNIVMJXZQWQGQES-UHFFFAOYSA-N
XLogP3.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine (CID 140698731) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine is CNCC(CC1CCCCC1)C1CCC2CCCNC2C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine?
The InChIKey is NIVMJXZQWQGQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-20-14-18(12-15-6-3-2-4-7-15)17-10-9-16-8-5-11-21-19(16)13-17/h15-21H,2-14H2,1H3.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-3-cyclohexyl-N-methylpropan-1-amine is sourced from PubChem (CID 140698731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).