3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine

C14H26N4 — CID 79618941

IUPAC3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(C)Cc2nccn2C)C1
InChIInChI=1S/C14H26N4/c1-4-15-12-6-5-7-13(10-12)18(3)11-14-16-8-9-17(14)2/h8-9,12-13,15H,4-7,10-11H2,1-3H3
InChIKeyKALUHXOKEYCYCQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.77
Rot. Bonds5

About 3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine

3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine (PubChem CID 79618941) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
PubChem CID79618941
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(C)Cc2nccn2C)C1
InChIInChI=1S/C14H26N4/c1-4-15-12-6-5-7-13(10-12)18(3)11-14-16-8-9-17(14)2/h8-9,12-13,15H,4-7,10-11H2,1-3H3
InChIKeyKALUHXOKEYCYCQ-UHFFFAOYSA-N
XLogP1.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine
CID 63013410
N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 63904236
1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 79639172
3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79631539
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one
CID 79643169
N-ethyl-2-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79761914
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
CID 63026805
N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025023
N-ethyl-3-(2-propylimidazol-1-yl)cyclohexan-1-amine
CID 79619406
N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 80998325
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine (CID 79618941) is 3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine is CCNC1CCCC(N(C)Cc2nccn2C)C1.
What is the InChIKey of 3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine?
The InChIKey is KALUHXOKEYCYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-15-12-6-5-7-13(10-12)18(3)11-14-16-8-9-17(14)2/h8-9,12-13,15H,4-7,10-11H2,1-3H3.
What are the key properties of 3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine?
3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79618941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).