[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine

C18H34N2 — CID 102725585

IUPAC[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCC[C@H]3CCCC[C@H]32)C1
InChIInChI=1S/C18H34N2/c1-2-14-9-10-16(13-19)18(12-14)20-11-5-7-15-6-3-4-8-17(15)20/h14-18H,2-13,19H2,1H3/t14?,15-,16?,17-,18?/m1/s1
InChIKeyVYOFYRLEVHFCJH-PASYZDRLSA-N
MW278.48 g/mol
LogP3.79
Rot. Bonds3

About [2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine

[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine (PubChem CID 102725585) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is [2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine
PubChem CID102725585
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCC[C@H]3CCCC[C@H]32)C1
InChIInChI=1S/C18H34N2/c1-2-14-9-10-16(13-19)18(12-14)20-11-5-7-15-6-3-4-8-17(15)20/h14-18H,2-13,19H2,1H3/t14?,15-,16?,17-,18?/m1/s1
InChIKeyVYOFYRLEVHFCJH-PASYZDRLSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine (CID 102725585) is [2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(N2CCC[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]-4-ethylcyclohexyl]methanamine?
The InChIKey is VYOFYRLEVHFCJH-PASYZDRLSA-N. The full InChI is InChI=1S/C18H34N2/c1-2-14-9-10-16(13-19)18(12-14)20-11-5-7-15-6-3-4-8-17(15)20/h14-18H,2-13,19H2,1H3/t14?,15-,16?,17-,18?/m1/s1.
What are the key properties of [2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine?
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine has a molecular weight of 278.48 g/mol, XLogP of 3.79, 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]-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 102725585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).