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

C14H26N2 — CID 82750399

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine
SMILESCC(N)(CN1CCC2CCCCC21)C1CC1
InChIInChI=1S/C14H26N2/c1-14(15,12-6-7-12)10-16-9-8-11-4-2-3-5-13(11)16/h11-13H,2-10,15H2,1H3
InChIKeyPHYJEMMXQGFBGZ-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.38
Rot. Bonds3

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

1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine (PubChem CID 82750399) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine
PubChem CID82750399
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine
SMILESCC(N)(CN1CCC2CCCCC21)C1CC1
InChIInChI=1S/C14H26N2/c1-14(15,12-6-7-12)10-16-9-8-11-4-2-3-5-13(11)16/h11-13H,2-10,15H2,1H3
InChIKeyPHYJEMMXQGFBGZ-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.38
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)-2-amino-2-cyclopropylpropanoic acid
CID 82751459
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 102726837
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methylbutan-2-amine
CID 79811502
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,2-dimethylpropanoic acid
CID 82750528
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pentan-3-amine
CID 79812295
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 82746824
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 82752526
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide
CID 82753521
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-amino-2-methylpropan-2-ol
CID 102728937
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylpropan-2-amine
CID 62487218
ethyl 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-cyclopropylpropanoate
CID 102728050

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine (CID 82750399) is 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine is CC(N)(CN1CCC2CCCCC21)C1CC1.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine?
The InChIKey is PHYJEMMXQGFBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-14(15,12-6-7-12)10-16-9-8-11-4-2-3-5-13(11)16/h11-13H,2-10,15H2,1H3.
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine?
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine has a molecular weight of 222.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine is sourced from PubChem (CID 82750399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).