1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine

C9H17N3 — CID 116948256

IUPAC1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine
SMILESCNC(c1cc[nH]c1)C(C)(C)N
InChIInChI=1S/C9H17N3/c1-9(2,10)8(11-3)7-4-5-12-6-7/h4-6,8,11-12H,10H2,1-3H3
InChIKeyKOYBAKLEWPCSFG-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.01
Rot. Bonds3

About 1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine

1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine (PubChem CID 116948256) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine
PubChem CID116948256
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine
SMILESCNC(c1cc[nH]c1)C(C)(C)N
InChIInChI=1S/C9H17N3/c1-9(2,10)8(11-3)7-4-5-12-6-7/h4-6,8,11-12H,10H2,1-3H3
InChIKeyKOYBAKLEWPCSFG-UHFFFAOYSA-N
XLogP1.01
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-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

N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine
CID 116961220
4-(methylamino)-4-(1H-pyrrol-3-yl)butanenitrile
CID 116955311
3,3-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116934629
hydrazinyl(1H-pyrrol-3-yl)methanamine
CID 116947455
tert-butyl N-[2-(methylamino)-2-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116861272
N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide
CID 116847036
2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine
CID 82280266
methoxy(1H-pyrrol-3-yl)methanamine
CID 116947286
2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82293455
N,N'-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116949458
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine (CID 116948256) is 1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine is CNC(c1cc[nH]c1)C(C)(C)N.
What is the InChIKey of 1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine?
The InChIKey is KOYBAKLEWPCSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2,10)8(11-3)7-4-5-12-6-7/h4-6,8,11-12H,10H2,1-3H3.
What are the key properties of 1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine?
1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine has a molecular weight of 167.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine is sourced from PubChem (CID 116948256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).