1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine

C13H19N3 — CID 115199020

IUPAC1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
SMILESCc1[nH]c2ccccc2c1NCCC(C)N
InChIInChI=1S/C13H19N3/c1-9(14)7-8-15-13-10(2)16-12-6-4-3-5-11(12)13/h3-6,9,15-16H,7-8,14H2,1-2H3
InChIKeyKKLRGVVDHJJANI-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.63
Rot. Bonds4

About 1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine

1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine (PubChem CID 115199020) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
PubChem CID115199020
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
SMILESCc1[nH]c2ccccc2c1NCCC(C)N
InChIInChI=1S/C13H19N3/c1-9(14)7-8-15-13-10(2)16-12-6-4-3-5-11(12)13/h3-6,9,15-16H,7-8,14H2,1-2H3
InChIKeyKKLRGVVDHJJANI-UHFFFAOYSA-N
XLogP2.63
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-2-methyl-1H-indol-3-amine
CID 115214600
3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115200369
ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
CID 91901357
1-N-(1H-indol-3-yl)butane-1,3-diamine
CID 115199018
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine
CID 115212643
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide
CID 115186828
2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116934490
3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide
CID 146109310
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine?
The IUPAC name of 1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine (CID 115199020) is 1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine?
The canonical SMILES for 1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine is Cc1[nH]c2ccccc2c1NCCC(C)N.
What is the InChIKey of 1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine?
The InChIKey is KKLRGVVDHJJANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(14)7-8-15-13-10(2)16-12-6-4-3-5-11(12)13/h3-6,9,15-16H,7-8,14H2,1-2H3.
What are the key properties of 1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine?
1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine has a molecular weight of 217.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine is sourced from PubChem (CID 115199020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).