1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine

C13H17N3 — CID 146338251

IUPAC1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine
SMILESCNC1(Cn2ccc3cc(N)ccc32)CC1
InChIInChI=1S/C13H17N3/c1-15-13(5-6-13)9-16-7-4-10-8-11(14)2-3-12(10)16/h2-4,7-8,15H,5-6,9,14H2,1H3
InChIKeyFJOJRHUYWGBYER-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.98
Rot. Bonds3

About 1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine

1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine (PubChem CID 146338251) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine.

Molecular Properties

Compound Name1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine
PubChem CID146338251
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine
SMILESCNC1(Cn2ccc3cc(N)ccc32)CC1
InChIInChI=1S/C13H17N3/c1-15-13(5-6-13)9-16-7-4-10-8-11(14)2-3-12(10)16/h2-4,7-8,15H,5-6,9,14H2,1H3
InChIKeyFJOJRHUYWGBYER-UHFFFAOYSA-N
XLogP1.98
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine
CID 155362635
1-(2,2-difluoropropyl)indol-5-amine
CID 165472066
2-(5-aminoindol-1-yl)ethanol
CID 43165354
1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine
CID 156881348
2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43165357
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
1-(3-methoxy-3-methylbutyl)indol-5-amine
CID 103033678
1-(prop-2-enoxymethyl)indol-5-amine
CID 165471935
1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine
CID 103002337
1-(3-morpholin-4-ylpropyl)indol-5-amine
CID 170992123
2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine
CID 65481736
1-(4-phenylbutyl)indol-5-amine
CID 114333583

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine?
The IUPAC name of 1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine (CID 146338251) is 1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine.
What is the SMILES notation for 1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine?
The canonical SMILES for 1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine is CNC1(Cn2ccc3cc(N)ccc32)CC1.
What is the InChIKey of 1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine?
The InChIKey is FJOJRHUYWGBYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-15-13(5-6-13)9-16-7-4-10-8-11(14)2-3-12(10)16/h2-4,7-8,15H,5-6,9,14H2,1H3.
What are the key properties of 1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine?
1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine has a molecular weight of 215.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(methylamino)cyclopropyl]methyl]indol-5-amine is sourced from PubChem (CID 146338251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).