1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine

C11H16N2 — CID 89050043

IUPAC1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine
SMILESCC(N)CC1=CNC2=CC=CCC12
InChIInChI=1S/C11H16N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-3,5,7-8,10,13H,4,6,12H2,1H3
InChIKeyXUMDIQZANHRONX-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.67
Rot. Bonds2

About 1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine

1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine (PubChem CID 89050043) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine
PubChem CID89050043
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine
SMILESCC(N)CC1=CNC2=CC=CCC12
InChIInChI=1S/C11H16N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-3,5,7-8,10,13H,4,6,12H2,1H3
InChIKeyXUMDIQZANHRONX-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydrocyclopenta[f]indole
CID 70115040
3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole
CID 59950841
2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 70300942
[2-Ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
CID 134581918
(2E)-3-[(3E)-3-[1-[(4,4-difluorocyclohexyl)methyl]-3H-pyrrol-2-ylidene]prop-1-en-2-yl]-N,4-dimethylpenta-2,4-dien-2-amine
CID 135294948
2-[[2-[2-Methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-yl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-en-1-amine
CID 146490009
3-fluoro-4-N,3-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 152025024
2-(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)-3-methyl-1,2-dihydropyridine
CID 163919749
(5S)-6-fluoro-5-methyl-N-propan-2-yl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 164155149
2-fluoro-4,7-dimethyl-3-propyl-3a,7a-dihydro-1H-indole
CID 170053364
N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine
CID 170392911
1-[4-[3-ethenyl-4-ethyl-2-[(E)-2-fluoroethenyl]-2,3-dihydro-1H-pyrrol-5-yl]cyclohexa-2,4-dien-1-yl]-N-methylmethanamine
CID 174319044

Frequently Asked Questions

What is the IUPAC name of 1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine?
The IUPAC name of 1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine (CID 89050043) is 1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine is CC(N)CC1=CNC2=CC=CCC12.
What is the InChIKey of 1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine?
The InChIKey is XUMDIQZANHRONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-3,5,7-8,10,13H,4,6,12H2,1H3.
What are the key properties of 1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine?
1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine has a molecular weight of 176.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 89050043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).