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

C14H21N3 — CID 115200369

IUPAC3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
SMILESCc1[nH]c2ccccc2c1NCCC(C)(C)N
InChIInChI=1S/C14H21N3/c1-10-13(16-9-8-14(2,3)15)11-6-4-5-7-12(11)17-10/h4-7,16-17H,8-9,15H2,1-3H3
InChIKeyQSOPIBUSMMBXAH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds4

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

3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine (PubChem CID 115200369) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
PubChem CID115200369
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
SMILESCc1[nH]c2ccccc2c1NCCC(C)(C)N
InChIInChI=1S/C14H21N3/c1-10-13(16-9-8-14(2,3)15)11-6-4-5-7-12(11)17-10/h4-7,16-17H,8-9,15H2,1-3H3
InChIKeyQSOPIBUSMMBXAH-UHFFFAOYSA-N
XLogP3.02
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
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
1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115199020
4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
CID 115157504
1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine
CID 115200367
1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine
CID 115200722
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine
CID 115212643
3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide
CID 146109310
2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116934490
2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1H-indol-3-amine
CID 115238261
3-amino-3-(2-methyl-1H-indol-3-yl)butanoic acid
CID 82289641
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951
2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide
CID 115186828

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine?
The IUPAC name of 3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine (CID 115200369) is 3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine.
What is the SMILES notation for 3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine?
The canonical SMILES for 3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine is Cc1[nH]c2ccccc2c1NCCC(C)(C)N.
What is the InChIKey of 3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine?
The InChIKey is QSOPIBUSMMBXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10-13(16-9-8-14(2,3)15)11-6-4-5-7-12(11)17-10/h4-7,16-17H,8-9,15H2,1-3H3.
What are the key properties of 3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine?
3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine has a molecular weight of 231.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine is sourced from PubChem (CID 115200369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).