N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine

C15H28N4 — CID 106553234

IUPACN'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCc1cn(C2CCCC2)c(N(C)CCCNC)n1
InChIInChI=1S/C15H28N4/c1-4-13-12-19(14-8-5-6-9-14)15(17-13)18(3)11-7-10-16-2/h12,14,16H,4-11H2,1-3H3
InChIKeyFLSJWBZVHOPXQJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.61
Rot. Bonds7

About N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine

N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 106553234) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID106553234
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCc1cn(C2CCCC2)c(N(C)CCCNC)n1
InChIInChI=1S/C15H28N4/c1-4-13-12-19(14-8-5-6-9-14)15(17-13)18(3)11-7-10-16-2/h12,14,16H,4-11H2,1-3H3
InChIKeyFLSJWBZVHOPXQJ-UHFFFAOYSA-N
XLogP2.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine (CID 106553234) is N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine is CCc1cn(C2CCCC2)c(N(C)CCCNC)n1.
What is the InChIKey of N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is FLSJWBZVHOPXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-13-12-19(14-8-5-6-9-14)15(17-13)18(3)11-7-10-16-2/h12,14,16H,4-11H2,1-3H3.
What are the key properties of N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine?
N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 106553234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).