2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine

C17H32N2 — CID 82751935

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CN2CCC3CCCCC32)C1
InChIInChI=1S/C17H32N2/c1-2-13-7-8-16(18)15(11-13)12-19-10-9-14-5-3-4-6-17(14)19/h13-17H,2-12,18H2,1H3
InChIKeyNTTAJMJBVPKQAC-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.40
Rot. Bonds3

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine (PubChem CID 82751935) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine
PubChem CID82751935
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CN2CCC3CCCCC32)C1
InChIInChI=1S/C17H32N2/c1-2-13-7-8-16(18)15(11-13)12-19-10-9-14-5-3-4-6-17(14)19/h13-17H,2-12,18H2,1H3
InChIKeyNTTAJMJBVPKQAC-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine (CID 82751935) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(CN2CCC3CCCCC32)C1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine?
The InChIKey is NTTAJMJBVPKQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-13-7-8-16(18)15(11-13)12-19-10-9-14-5-3-4-6-17(14)19/h13-17H,2-12,18H2,1H3.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 82751935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).