3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine

C10H19N3 — CID 115138127

IUPAC3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CN)NCc1ccc[nH]1
InChIInChI=1S/C10H19N3/c1-8(2)10(6-11)13-7-9-4-3-5-12-9/h3-5,8,10,12-13H,6-7,11H2,1-2H3
InChIKeyASQMZWNOOIHAQU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.09
Rot. Bonds5

About 3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine

3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine (PubChem CID 115138127) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine
PubChem CID115138127
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CN)NCc1ccc[nH]1
InChIInChI=1S/C10H19N3/c1-8(2)10(6-11)13-7-9-4-3-5-12-9/h3-5,8,10,12-13H,6-7,11H2,1-2H3
InChIKeyASQMZWNOOIHAQU-UHFFFAOYSA-N
XLogP1.09
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-N-(1H-pyrazol-5-ylmethyl)butane-1,2-diamine
CID 106345214
tert-butyl N-[3-methyl-2-(1H-pyrrol-2-ylmethylamino)butyl]carbamate
CID 107254102
2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 64570071
4,4,4-trifluoro-N-(1H-pyrrol-2-ylmethyl)butan-2-amine
CID 103578817
2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345179
1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine
CID 62339423
(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81396209
1H-pyrrol-2-ylmethylhydrazine
CID 53275207
methyl 4-methyl-2-(1H-pyrrol-2-ylmethylamino)pentanoate
CID 62329227
2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine
CID 116924952
(1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81378080
2-methylsulfanyl-3-(1H-pyrrol-2-ylmethylamino)butan-1-ol
CID 103578656

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine (CID 115138127) is 3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine is CC(C)C(CN)NCc1ccc[nH]1.
What is the InChIKey of 3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine?
The InChIKey is ASQMZWNOOIHAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)10(6-11)13-7-9-4-3-5-12-9/h3-5,8,10,12-13H,6-7,11H2,1-2H3.
What are the key properties of 3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine?
3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 115138127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).