N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine

C18H34N2 — CID 66471620

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine
SMILESCCN(CC1CCC2CCCCC2N1)C1CCCCC1
InChIInChI=1S/C18H34N2/c1-2-20(17-9-4-3-5-10-17)14-16-13-12-15-8-6-7-11-18(15)19-16/h15-19H,2-14H2,1H3
InChIKeyMXWMFUHOJAWRTJ-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.95
Rot. Bonds4

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine (PubChem CID 66471620) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine
PubChem CID66471620
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine
SMILESCCN(CC1CCC2CCCCC2N1)C1CCCCC1
InChIInChI=1S/C18H34N2/c1-2-20(17-9-4-3-5-10-17)14-16-13-12-15-8-6-7-11-18(15)19-16/h15-19H,2-14H2,1H3
InChIKeyMXWMFUHOJAWRTJ-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine (CID 66471620) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine is CCN(CC1CCC2CCCCC2N1)C1CCCCC1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine?
The InChIKey is MXWMFUHOJAWRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-2-20(17-9-4-3-5-10-17)14-16-13-12-15-8-6-7-11-18(15)19-16/h15-19H,2-14H2,1H3.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine has a molecular weight of 278.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine is sourced from PubChem (CID 66471620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).