4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide

C15H30N2O — CID 60795512

IUPAC4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C15H30N2O/c1-5-11-17-15(13(16)18)9-7-12(8-10-15)14(3,4)6-2/h12,17H,5-11H2,1-4H3,(H2,16,18)
InChIKeyLKLOEFUTBKKYLL-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.84
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide

4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 60795512) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID60795512
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C15H30N2O/c1-5-11-17-15(13(16)18)9-7-12(8-10-15)14(3,4)6-2/h12,17H,5-11H2,1-4H3,(H2,16,18)
InChIKeyLKLOEFUTBKKYLL-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-tert-butyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60797035
4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide
CID 65088722
methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 61002750
1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 43754485
3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637925
ethyl 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64755728
methyl 1-amino-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 60797220
1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 61024663
3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637723
1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 64755902
4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 63405391
tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate
CID 79307958

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide (CID 60795512) is 4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCC(C(C)(C)CC)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is LKLOEFUTBKKYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-11-17-15(13(16)18)9-7-12(8-10-15)14(3,4)6-2/h12,17H,5-11H2,1-4H3,(H2,16,18).
What are the key properties of 4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide?
4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 60795512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).