2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine

C15H22N2 — CID 64919959

IUPAC2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine
SMILESCCC(CN)(C1CC1)N1CCc2ccccc21
InChIInChI=1S/C15H22N2/c1-2-15(11-16,13-7-8-13)17-10-9-12-5-3-4-6-14(12)17/h3-6,13H,2,7-11,16H2,1H3
InChIKeyXTKIIIVVVQUZAP-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.57
Rot. Bonds4

About 2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine

2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine (PubChem CID 64919959) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine
PubChem CID64919959
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine
SMILESCCC(CN)(C1CC1)N1CCc2ccccc21
InChIInChI=1S/C15H22N2/c1-2-15(11-16,13-7-8-13)17-10-9-12-5-3-4-6-14(12)17/h3-6,13H,2,7-11,16H2,1H3
InChIKeyXTKIIIVVVQUZAP-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-3,4-dihydrocinnoline
CID 54095235
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-(2,3-dihydroindol-1-yl)-2-methylpropanal
CID 130948019
[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine
CID 99109815
1-(2,2-dimethylbutyl)-2,3-dihydroindole
CID 167187652
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile
CID 63913497
2-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
CID 84618930
1-butyl-2,3-dihydroindole
CID 4167209
2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine
CID 43080726
2-cyclopropyl-2-(2-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 43514057
5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol
CID 139217240

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine?
The IUPAC name of 2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine (CID 64919959) is 2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine is CCC(CN)(C1CC1)N1CCc2ccccc21.
What is the InChIKey of 2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine?
The InChIKey is XTKIIIVVVQUZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-15(11-16,13-7-8-13)17-10-9-12-5-3-4-6-14(12)17/h3-6,13H,2,7-11,16H2,1H3.
What are the key properties of 2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine?
2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine has a molecular weight of 230.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine is sourced from PubChem (CID 64919959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).