1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C15H30N2O — CID 54908142

IUPAC1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCC(C)NC1(C(N)=O)CC(C)CCC1C(C)C
InChIInChI=1S/C15H30N2O/c1-6-12(5)17-15(14(16)18)9-11(4)7-8-13(15)10(2)3/h10-13,17H,6-9H2,1-5H3,(H2,16,18)
InChIKeyJMZHFUUAFGCQBC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds5

About 1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 54908142) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID54908142
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCC(C)NC1(C(N)=O)CC(C)CCC1C(C)C
InChIInChI=1S/C15H30N2O/c1-6-12(5)17-15(14(16)18)9-11(4)7-8-13(15)10(2)3/h10-13,17H,6-9H2,1-5H3,(H2,16,18)
InChIKeyJMZHFUUAFGCQBC-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxyethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 57200441
[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 61048406
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 54918720
5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide
CID 61005628
ethyl 5-methyl-2-propan-2-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 54918638
(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 55027769
1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 140775967
2-[1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexyl]acetamide
CID 65233567
1-(2-azidoethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 66189204
ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate
CID 68627782
1-(2-amino-2-oxoethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 66599643

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 54908142) is 1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CCC(C)NC1(C(N)=O)CC(C)CCC1C(C)C.
What is the InChIKey of 1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is JMZHFUUAFGCQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-12(5)17-15(14(16)18)9-11(4)7-8-13(15)10(2)3/h10-13,17H,6-9H2,1-5H3,(H2,16,18).
What are the key properties of 1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 54908142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).