1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide

C15H26N4O — CID 119857869

IUPAC1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
SMILESCc1nccn1CC(C)CNC(=O)C1(N)CCCCC1
InChIInChI=1S/C15H26N4O/c1-12(11-19-9-8-17-13(19)2)10-18-14(20)15(16)6-4-3-5-7-15/h8-9,12H,3-7,10-11,16H2,1-2H3,(H,18,20)
InChIKeyCUPPAUIPBBAPJI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.61
Rot. Bonds5

About 1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide

1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 119857869) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
PubChem CID119857869
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
SMILESCc1nccn1CC(C)CNC(=O)C1(N)CCCCC1
InChIInChI=1S/C15H26N4O/c1-12(11-19-9-8-17-13(19)2)10-18-14(20)15(16)6-4-3-5-7-15/h8-9,12H,3-7,10-11,16H2,1-2H3,(H,18,20)
InChIKeyCUPPAUIPBBAPJI-UHFFFAOYSA-N
XLogP1.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119869306
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111618731
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892474
1-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892622
1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119859039
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60559475
4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
CID 119857824
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide
CID 110911484
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide (CID 119857869) is 1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide is Cc1nccn1CC(C)CNC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is CUPPAUIPBBAPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(11-19-9-8-17-13(19)2)10-18-14(20)15(16)6-4-3-5-7-15/h8-9,12H,3-7,10-11,16H2,1-2H3,(H,18,20).
What are the key properties of 1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide?
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119857869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).