1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine

C18H29N3 — CID 115871482

IUPAC1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CC(C)N(C3CC3)C2)cc1
InChIInChI=1S/C18H29N3/c1-4-20(5-2)17-8-6-15(7-9-17)19-16-12-14(3)21(13-16)18-10-11-18/h6-9,14,16,18-19H,4-5,10-13H2,1-3H3
InChIKeyYSNNELPSIHATSS-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.57
Rot. Bonds6

About 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine

1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 115871482) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID115871482
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CC(C)N(C3CC3)C2)cc1
InChIInChI=1S/C18H29N3/c1-4-20(5-2)17-8-6-15(7-9-17)19-16-12-14(3)21(13-16)18-10-11-18/h6-9,14,16,18-19H,4-5,10-13H2,1-3H3
InChIKeyYSNNELPSIHATSS-UHFFFAOYSA-N
XLogP3.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-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

1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 81465612
1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638
1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871623
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
CID 115871526
2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107678571
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-6-ethoxypyridin-3-amine
CID 115871639
1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 79725282
(2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide
CID 98874802
(3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine
CID 97330985
1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 112739993
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115904143
4-N,4-N-diethyl-1-N-(thian-3-yl)benzene-1,4-diamine
CID 62873258

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine (CID 115871482) is 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(NC2CC(C)N(C3CC3)C2)cc1.
What is the InChIKey of 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is YSNNELPSIHATSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-20(5-2)17-8-6-15(7-9-17)19-16-12-14(3)21(13-16)18-10-11-18/h6-9,14,16,18-19H,4-5,10-13H2,1-3H3.
What are the key properties of 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 287.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 115871482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).