2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine

C17H25N3 — CID 117177103

IUPAC2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine
SMILESCC(C)n1c(CNC2CCCC2)cc2cc(N)ccc21
InChIInChI=1S/C17H25N3/c1-12(2)20-16(11-19-15-5-3-4-6-15)10-13-9-14(18)7-8-17(13)20/h7-10,12,15,19H,3-6,11,18H2,1-2H3
InChIKeyMHDGYGVTHYAXJI-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.84
Rot. Bonds4

About 2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine

2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine (PubChem CID 117177103) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine.

Molecular Properties

Compound Name2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine
PubChem CID117177103
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine
SMILESCC(C)n1c(CNC2CCCC2)cc2cc(N)ccc21
InChIInChI=1S/C17H25N3/c1-12(2)20-16(11-19-15-5-3-4-6-15)10-13-9-14(18)7-8-17(13)20/h7-10,12,15,19H,3-6,11,18H2,1-2H3
InChIKeyMHDGYGVTHYAXJI-UHFFFAOYSA-N
XLogP3.84
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117177106
N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine
CID 117180455
2-[(cyclopentylamino)methyl]-1-methylindol-6-amine
CID 117180033
(5-amino-1-propan-2-ylindol-2-yl)methanol
CID 117177413
2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol
CID 117180534
N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117184020
2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine
CID 117177120
5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine
CID 117192903
N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine
CID 117183919
2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid
CID 117180869
2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine
CID 117180819
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
CID 117192902

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine?
The IUPAC name of 2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine (CID 117177103) is 2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine.
What is the SMILES notation for 2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine?
The canonical SMILES for 2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine is CC(C)n1c(CNC2CCCC2)cc2cc(N)ccc21.
What is the InChIKey of 2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine?
The InChIKey is MHDGYGVTHYAXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)20-16(11-19-15-5-3-4-6-15)10-13-9-14(18)7-8-17(13)20/h7-10,12,15,19H,3-6,11,18H2,1-2H3.
What are the key properties of 2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine?
2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine has a molecular weight of 271.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine is sourced from PubChem (CID 117177103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).