N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide

C12H23NO — CID 3016621

IUPACN,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1(C(=O)N(C)C)CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)12(11(14)13(3)4)8-6-5-7-9-12/h10H,5-9H2,1-4H3
InChIKeyJXBUDYOESYSPGK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds2

About N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide

N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 3016621) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide
PubChem CID3016621
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1(C(=O)N(C)C)CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)12(11(14)13(3)4)8-6-5-7-9-12/h10H,5-9H2,1-4H3
InChIKeyJXBUDYOESYSPGK-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide (CID 3016621) is N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1(C(=O)N(C)C)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is JXBUDYOESYSPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)12(11(14)13(3)4)8-6-5-7-9-12/h10H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide?
N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 197.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 3016621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).