4-(3-methyl-1H-indol-5-yl)butan-1-amine

C13H18N2 — CID 117291124

IUPAC4-(3-methyl-1H-indol-5-yl)butan-1-amine
SMILESCc1c[nH]c2ccc(CCCCN)cc12
InChIInChI=1S/C13H18N2/c1-10-9-15-13-6-5-11(8-12(10)13)4-2-3-7-14/h5-6,8-9,15H,2-4,7,14H2,1H3
InChIKeyNZLOWCIDGKSPJA-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.76
Rot. Bonds4

About 4-(3-methyl-1H-indol-5-yl)butan-1-amine

4-(3-methyl-1H-indol-5-yl)butan-1-amine (PubChem CID 117291124) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(3-methyl-1H-indol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-(3-methyl-1H-indol-5-yl)butan-1-amine
PubChem CID117291124
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-(3-methyl-1H-indol-5-yl)butan-1-amine
SMILESCc1c[nH]c2ccc(CCCCN)cc12
InChIInChI=1S/C13H18N2/c1-10-9-15-13-6-5-11(8-12(10)13)4-2-3-7-14/h5-6,8-9,15H,2-4,7,14H2,1H3
InChIKeyNZLOWCIDGKSPJA-UHFFFAOYSA-N
XLogP2.76
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine
CID 116996491
3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole
CID 116996532
[4-(3-methyl-1H-indol-5-yl)phenyl]methanamine
CID 116996502
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine
CID 143126047
3,5-dimethyl-1H-indole
CID 142943492
6-(3-methoxypropyl)-3-methyl-1H-indole
CID 174517880
1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol
CID 117290213
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine
CID 5010457
2-[2-[4-[3-(2-aminoethyl)-1H-indol-5-yl]butoxy]ethoxy]ethanethiol
CID 142098472
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1H-indol-5-yl)butan-1-amine?
The IUPAC name of 4-(3-methyl-1H-indol-5-yl)butan-1-amine (CID 117291124) is 4-(3-methyl-1H-indol-5-yl)butan-1-amine.
What is the SMILES notation for 4-(3-methyl-1H-indol-5-yl)butan-1-amine?
The canonical SMILES for 4-(3-methyl-1H-indol-5-yl)butan-1-amine is Cc1c[nH]c2ccc(CCCCN)cc12.
What is the InChIKey of 4-(3-methyl-1H-indol-5-yl)butan-1-amine?
The InChIKey is NZLOWCIDGKSPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-9-15-13-6-5-11(8-12(10)13)4-2-3-7-14/h5-6,8-9,15H,2-4,7,14H2,1H3.
What are the key properties of 4-(3-methyl-1H-indol-5-yl)butan-1-amine?
4-(3-methyl-1H-indol-5-yl)butan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1H-indol-5-yl)butan-1-amine is sourced from PubChem (CID 117291124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).