1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide

C15H26N4O — CID 79641725

IUPAC1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(n2ccnc2C(C)C)C1
InChIInChI=1S/C15H26N4O/c1-4-18-15(14(16)20)7-5-6-12(10-15)19-9-8-17-13(19)11(2)3/h8-9,11-12,18H,4-7,10H2,1-3H3,(H2,16,20)
InChIKeyABWDZZMDNXGUJA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.96
Rot. Bonds5

About 1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide

1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 79641725) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide
PubChem CID79641725
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(n2ccnc2C(C)C)C1
InChIInChI=1S/C15H26N4O/c1-4-18-15(14(16)20)7-5-6-12(10-15)19-9-8-17-13(19)11(2)3/h8-9,11-12,18H,4-7,10H2,1-3H3,(H2,16,20)
InChIKeyABWDZZMDNXGUJA-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79641596
1-(ethylamino)-3-(2-ethylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79637528
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate
CID 79651528
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 103538166
1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79650812
3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79637681
1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79651601
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79651559
1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79648637
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79634409

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide (CID 79641725) is 1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(n2ccnc2C(C)C)C1.
What is the InChIKey of 1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is ABWDZZMDNXGUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-18-15(14(16)20)7-5-6-12(10-15)19-9-8-17-13(19)11(2)3/h8-9,11-12,18H,4-7,10H2,1-3H3,(H2,16,20).
What are the key properties of 1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide?
1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79641725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).