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

C16H30N2 — CID 43409671

IUPAC[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine
SMILESNCC1(N2CCCC3CCCCC32)CCCCC1
InChIInChI=1S/C16H30N2/c17-13-16(10-4-1-5-11-16)18-12-6-8-14-7-2-3-9-15(14)18/h14-15H,1-13,17H2
InChIKeyWCFBFWUOXGSSOK-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.30
Rot. Bonds2

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

[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine (PubChem CID 43409671) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine
PubChem CID43409671
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine
SMILESNCC1(N2CCCC3CCCCC32)CCCCC1
InChIInChI=1S/C16H30N2/c17-13-16(10-4-1-5-11-16)18-12-6-8-14-7-2-3-9-15(14)18/h14-15H,1-13,17H2
InChIKeyWCFBFWUOXGSSOK-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine (CID 43409671) is [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine is NCC1(N2CCCC3CCCCC32)CCCCC1.
What is the InChIKey of [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine?
The InChIKey is WCFBFWUOXGSSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c17-13-16(10-4-1-5-11-16)18-12-6-8-14-7-2-3-9-15(14)18/h14-15H,1-13,17H2.
What are the key properties of [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine?
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine has a molecular weight of 250.43 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 43409671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).