3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine

C17H26N2 — CID 117118566

IUPAC3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine
SMILESNCCCC1CN(C2CCCCC2)c2ccccc21
InChIInChI=1S/C17H26N2/c18-12-6-7-14-13-19(15-8-2-1-3-9-15)17-11-5-4-10-16(14)17/h4-5,10-11,14-15H,1-3,6-9,12-13,18H2
InChIKeyVAKRLPOARJREMG-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.66
Rot. Bonds4

About 3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine

3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine (PubChem CID 117118566) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine
PubChem CID117118566
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine
SMILESNCCCC1CN(C2CCCCC2)c2ccccc21
InChIInChI=1S/C17H26N2/c18-12-6-7-14-13-19(15-8-2-1-3-9-15)17-11-5-4-10-16(14)17/h4-5,10-11,14-15H,1-3,6-9,12-13,18H2
InChIKeyVAKRLPOARJREMG-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine?
The IUPAC name of 3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine (CID 117118566) is 3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine is NCCCC1CN(C2CCCCC2)c2ccccc21.
What is the InChIKey of 3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine?
The InChIKey is VAKRLPOARJREMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-12-6-7-14-13-19(15-8-2-1-3-9-15)17-11-5-4-10-16(14)17/h4-5,10-11,14-15H,1-3,6-9,12-13,18H2.
What are the key properties of 3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine?
3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyl-2,3-dihydroindol-3-yl)propan-1-amine is sourced from PubChem (CID 117118566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).