N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide

C13H25NO — CID 3016104

IUPACN,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)N(C)C)C1
InChIInChI=1S/C13H25NO/c1-9(2)11-7-6-10(3)8-12(11)13(15)14(4)5/h9-12H,6-8H2,1-5H3
InChIKeySBQWUJVATMNCKQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.78
Rot. Bonds2

About N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide

N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 3016104) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID3016104
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)N(C)C)C1
InChIInChI=1S/C13H25NO/c1-9(2)11-7-6-10(3)8-12(11)13(15)14(4)5/h9-12H,6-8H2,1-5H3
InChIKeySBQWUJVATMNCKQ-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 3016104) is N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)N(C)C)C1.
What is the InChIKey of N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is SBQWUJVATMNCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)11-7-6-10(3)8-12(11)13(15)14(4)5/h9-12H,6-8H2,1-5H3.
What are the key properties of N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 211.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 3016104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).