2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine

C17H26N2 — CID 117118942

IUPAC2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine
SMILESCC(CN)c1ccc2c(c1)CCN2CC1CCCC1
InChIInChI=1S/C17H26N2/c1-13(11-18)15-6-7-17-16(10-15)8-9-19(17)12-14-4-2-3-5-14/h6-7,10,13-14H,2-5,8-9,11-12,18H2,1H3
InChIKeyXAORTDYNAMBBGQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.30
Rot. Bonds4

About 2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine

2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine (PubChem CID 117118942) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine
PubChem CID117118942
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine
SMILESCC(CN)c1ccc2c(c1)CCN2CC1CCCC1
InChIInChI=1S/C17H26N2/c1-13(11-18)15-6-7-17-16(10-15)8-9-19(17)12-14-4-2-3-5-14/h6-7,10,13-14H,2-5,8-9,11-12,18H2,1H3
InChIKeyXAORTDYNAMBBGQ-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661602
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol
CID 117118731
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid
CID 115106001
N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661787
2-(1-cyclohexyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 117118471
N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65380739
2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 115105966
N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 62095329
2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 117382128
3-(1-ethyl-2,3-dihydroindol-5-yl)butanoic acid
CID 115114845
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096530

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine?
The IUPAC name of 2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine (CID 117118942) is 2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine?
The canonical SMILES for 2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine is CC(CN)c1ccc2c(c1)CCN2CC1CCCC1.
What is the InChIKey of 2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine?
The InChIKey is XAORTDYNAMBBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(11-18)15-6-7-17-16(10-15)8-9-19(17)12-14-4-2-3-5-14/h6-7,10,13-14H,2-5,8-9,11-12,18H2,1H3.
What are the key properties of 2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine?
2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine is sourced from PubChem (CID 117118942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).