1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide

C13H22N4O — CID 119869306

IUPAC1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1nccn1CCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C13H22N4O/c1-11-15-7-9-17(11)10-8-16-12(18)13(14)5-3-2-4-6-13/h7,9H,2-6,8,10,14H2,1H3,(H,16,18)
InChIKeyFOFYMKNHPFMDPU-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.97
Rot. Bonds4

About 1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide

1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119869306) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119869306
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1nccn1CCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C13H22N4O/c1-11-15-7-9-17(11)10-8-16-12(18)13(14)5-3-2-4-6-13/h7,9H,2-6,8,10,14H2,1H3,(H,16,18)
InChIKeyFOFYMKNHPFMDPU-UHFFFAOYSA-N
XLogP0.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide (CID 119869306) is 1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide is Cc1nccn1CCNC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is FOFYMKNHPFMDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-15-7-9-17(11)10-8-16-12(18)13(14)5-3-2-4-6-13/h7,9H,2-6,8,10,14H2,1H3,(H,16,18).
What are the key properties of 1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119869306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).