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

C9H17N3 — CID 116948725

IUPACN,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine
SMILESCNC(c1ccc[nH]1)C(C)CN
InChIInChI=1S/C9H17N3/c1-7(6-10)9(11-2)8-4-3-5-12-8/h3-5,7,9,11-12H,6,10H2,1-2H3
InChIKeyYBYBVPDIGBWJBO-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.87
Rot. Bonds4

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

N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine (PubChem CID 116948725) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine
PubChem CID116948725
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine
SMILESCNC(c1ccc[nH]1)C(C)CN
InChIInChI=1S/C9H17N3/c1-7(6-10)9(11-2)8-4-3-5-12-8/h3-5,7,9,11-12H,6,10H2,1-2H3
InChIKeyYBYBVPDIGBWJBO-UHFFFAOYSA-N
XLogP0.87
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-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-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
CID 116960982
3-amino-4-(methylamino)-4-(1H-pyrrol-2-yl)butanoic acid
CID 116957911
3-methyl-2-[methylamino(1H-pyrrol-2-yl)methyl]butanenitrile
CID 116960694
1-N-methyl-1-(1H-pyrrol-2-yl)butane-1,3-diamine
CID 116948881
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
CID 34364265
3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
CID 2740805
N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 82041457
1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine
CID 116954049
N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine
CID 116905151
2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 115252329

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine (CID 116948725) is N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine is CNC(c1ccc[nH]1)C(C)CN.
What is the InChIKey of N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine?
The InChIKey is YBYBVPDIGBWJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(6-10)9(11-2)8-4-3-5-12-8/h3-5,7,9,11-12H,6,10H2,1-2H3.
What are the key properties of N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine?
N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 116948725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).