2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine

C17H32N2 — CID 82746613

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine
SMILESNCC(CC1CCCCC1)N1CCC2CCCCC21
InChIInChI=1S/C17H32N2/c18-13-16(12-14-6-2-1-3-7-14)19-11-10-15-8-4-5-9-17(15)19/h14-17H,1-13,18H2
InChIKeyZYERELPCGJWHNL-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.55
Rot. Bonds4

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine (PubChem CID 82746613) 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-yl)-3-cyclohexylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine
PubChem CID82746613
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine
SMILESNCC(CC1CCCCC1)N1CCC2CCCCC21
InChIInChI=1S/C17H32N2/c18-13-16(12-14-6-2-1-3-7-14)19-11-10-15-8-4-5-9-17(15)19/h14-17H,1-13,18H2
InChIKeyZYERELPCGJWHNL-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine
CID 82747112
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-phenylbutan-1-amine
CID 82747118
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine
CID 102725751
2-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-amine
CID 103226041
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxypropan-1-amine
CID 103227391
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58339116
2-(azepan-1-yl)-3-cyclopropylpropan-1-amine
CID 82399266
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-amino-N-propylbutanamide
CID 82747117
2-(2-cyclopentylpyrrolidin-1-yl)octan-1-amine
CID 63465595
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)nonan-1-amine
CID 43628091
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)heptan-1-amine
CID 65319223
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine
CID 82751497

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine (CID 82746613) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine is NCC(CC1CCCCC1)N1CCC2CCCCC21.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine?
The InChIKey is ZYERELPCGJWHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c18-13-16(12-14-6-2-1-3-7-14)19-11-10-15-8-4-5-9-17(15)19/h14-17H,1-13,18H2.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.55, 4 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-yl)-3-cyclohexylpropan-1-amine is sourced from PubChem (CID 82746613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).