1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine

C15H28N4 — CID 114527359

IUPAC1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCCN(CCc1nccn1C)C1(CN)CCCCC1
InChIInChI=1S/C15H28N4/c1-3-19(11-7-14-17-10-12-18(14)2)15(13-16)8-5-4-6-9-15/h10,12H,3-9,11,13,16H2,1-2H3
InChIKeyNCRBHWCOWGPIHK-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.95
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 114527359) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
PubChem CID114527359
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCCN(CCc1nccn1C)C1(CN)CCCCC1
InChIInChI=1S/C15H28N4/c1-3-19(11-7-14-17-10-12-18(14)2)15(13-16)8-5-4-6-9-15/h10,12H,3-9,11,13,16H2,1-2H3
InChIKeyNCRBHWCOWGPIHK-UHFFFAOYSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine
CID 62010529
4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 65074993
1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527361
1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine
CID 63264720
1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 63264545
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65088232
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63923451
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82867122
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 55149213
1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 114530454

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine (CID 114527359) is 1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine is CCN(CCc1nccn1C)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is NCRBHWCOWGPIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-19(11-7-14-17-10-12-18(14)2)15(13-16)8-5-4-6-9-15/h10,12H,3-9,11,13,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 114527359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).