1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine

C15H28N4 — CID 114527361

IUPAC1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CCc2nccn2C)CC1
InChIInChI=1S/C15H28N4/c1-13-4-7-15(12-16,8-5-13)19(3)10-6-14-17-9-11-18(14)2/h9,11,13H,4-8,10,12,16H2,1-3H3
InChIKeyYUKDURJPLKFZFJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.80
Rot. Bonds5

About 1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine

1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 114527361) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
PubChem CID114527361
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CCc2nccn2C)CC1
InChIInChI=1S/C15H28N4/c1-13-4-7-15(12-16,8-5-13)19(3)10-6-14-17-9-11-18(14)2/h9,11,13H,4-8,10,12,16H2,1-3H3
InChIKeyYUKDURJPLKFZFJ-UHFFFAOYSA-N
XLogP1.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63014800
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 55149213
4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 65074993
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65088232
1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527359
3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81467993
1-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 65045219
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107449098
N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114525994
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine (CID 114527361) is 1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine is CC1CCC(CN)(N(C)CCc2nccn2C)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is YUKDURJPLKFZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13-4-7-15(12-16,8-5-13)19(3)10-6-14-17-9-11-18(14)2/h9,11,13H,4-8,10,12,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine?
1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 114527361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).