3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine

C17H24N2 — CID 115106970

IUPAC3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine
SMILESNCCCc1cccc2c1ccn2CC1CCCC1
InChIInChI=1S/C17H24N2/c18-11-4-8-15-7-3-9-17-16(15)10-12-19(17)13-14-5-1-2-6-14/h3,7,9-10,12,14H,1-2,4-6,8,11,13,18H2
InChIKeyDPOHTYCZZDMTDD-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.72
Rot. Bonds5

About 3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine

3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine (PubChem CID 115106970) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine
PubChem CID115106970
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine
SMILESNCCCc1cccc2c1ccn2CC1CCCC1
InChIInChI=1S/C17H24N2/c18-11-4-8-15-7-3-9-17-16(15)10-12-19(17)13-14-5-1-2-6-14/h3,7,9-10,12,14H,1-2,4-6,8,11,13,18H2
InChIKeyDPOHTYCZZDMTDD-UHFFFAOYSA-N
XLogP3.72
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine (CID 115106970) is 3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine is NCCCc1cccc2c1ccn2CC1CCCC1.
What is the InChIKey of 3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine?
The InChIKey is DPOHTYCZZDMTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c18-11-4-8-15-7-3-9-17-16(15)10-12-19(17)13-14-5-1-2-6-14/h3,7,9-10,12,14H,1-2,4-6,8,11,13,18H2.
What are the key properties of 3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine?
3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine is sourced from PubChem (CID 115106970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).