1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine

C15H30N4 — CID 66117372

IUPAC1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1cncn1CC
InChIInChI=1S/C15H30N4/c1-5-18(6-2)10-8-9-14(4)17-12-15-11-16-13-19(15)7-3/h11,13-14,17H,5-10,12H2,1-4H3
InChIKeyIRSWZPFRILCPQE-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.50
Rot. Bonds10

About 1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine (PubChem CID 66117372) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
PubChem CID66117372
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1cncn1CC
InChIInChI=1S/C15H30N4/c1-5-18(6-2)10-8-9-14(4)17-12-15-11-16-13-19(15)7-3/h11,13-14,17H,5-10,12H2,1-4H3
InChIKeyIRSWZPFRILCPQE-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine
CID 45282124
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 66132973
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66135228
1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine
CID 63378660
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 54883558
6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine
CID 66131081
3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106348886
4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43080551

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine (CID 66117372) is 1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine is CCN(CC)CCCC(C)NCc1cncn1CC.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine?
The InChIKey is IRSWZPFRILCPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-18(6-2)10-8-9-14(4)17-12-15-11-16-13-19(15)7-3/h11,13-14,17H,5-10,12H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 66117372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).