N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine

C14H26N4 — CID 63025023

IUPACN-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCN(CCCNC1CCCC1)Cc1nccn1C
InChIInChI=1S/C14H26N4/c1-17(12-14-16-9-11-18(14)2)10-5-8-15-13-6-3-4-7-13/h9,11,13,15H,3-8,10,12H2,1-2H3
InChIKeyKZUJMNPZGQZGES-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.77
Rot. Bonds7

About N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine

N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine (PubChem CID 63025023) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
PubChem CID63025023
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCN(CCCNC1CCCC1)Cc1nccn1C
InChIInChI=1S/C14H26N4/c1-17(12-14-16-9-11-18(14)2)10-5-8-15-13-6-3-4-7-13/h9,11,13,15H,3-8,10,12H2,1-2H3
InChIKeyKZUJMNPZGQZGES-UHFFFAOYSA-N
XLogP1.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]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-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025346
N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63024435
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
CID 63024492
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
CID 63025530
N-[[6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906508
2-cyclopropyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propylamino)propan-1-ol
CID 64789493
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
3-(cyclopropylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 106017944

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine (CID 63025023) is N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine is CN(CCCNC1CCCC1)Cc1nccn1C.
What is the InChIKey of N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is KZUJMNPZGQZGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-17(12-14-16-9-11-18(14)2)10-5-8-15-13-6-3-4-7-13/h9,11,13,15H,3-8,10,12H2,1-2H3.
What are the key properties of N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63025023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).