N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine

C9H17N3 — CID 82280376

IUPACN,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1ccn(C)c1
InChIInChI=1S/C9H17N3/c1-11(2)9(6-10)8-4-5-12(3)7-8/h4-5,7,9H,6,10H2,1-3H3
InChIKeyAIHIWZIWMCZUBQ-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.59
Rot. Bonds3

About N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine

N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine (PubChem CID 82280376) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine
PubChem CID82280376
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1ccn(C)c1
InChIInChI=1S/C9H17N3/c1-11(2)9(6-10)8-4-5-12(3)7-8/h4-5,7,9H,6,10H2,1-3H3
InChIKeyAIHIWZIWMCZUBQ-UHFFFAOYSA-N
XLogP0.59
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-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

(S)-nicotinium(1+)
CID 6919000
3-ethyl-1H-pyrrole
CID 258383
(2-Amino-1-(3-pyridyl)ethyl)dimethylamine
CID 3864338
1-(1H-pyrrol-3-yl)propan-2-amine
CID 13437356
3-tert-butyl-1H-pyrrole
CID 11029829
3-n-Octylpyrrole
CID 14510078
3-isopropyl-1H-pyrrole
CID 13165124
(R)-nicotinium(1+)
CID 6950509
N-cyclopentyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 11948910
1-Methyl-2-(1-pentyl-1H-pyrrol-3-yl)-ethylamine
CID 14739643
1H-Pyrrole, 3-propyl-
CID 137076
[3-(Dimethylamino)propyl][(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1814905

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine (CID 82280376) is N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine is CN(C)C(CN)c1ccn(C)c1.
What is the InChIKey of N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine?
The InChIKey is AIHIWZIWMCZUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-11(2)9(6-10)8-4-5-12(3)7-8/h4-5,7,9H,6,10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82280376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).