N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide

C16H29NO — CID 91566469

IUPACN-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide
SMILESCCC(C)(C)CCN(C)C(=O)C1=CCC(C)CC1
InChIInChI=1S/C16H29NO/c1-6-16(3,4)11-12-17(5)15(18)14-9-7-13(2)8-10-14/h9,13H,6-8,10-12H2,1-5H3
InChIKeyYWLQELXYUQKXAG-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.02
Rot. Bonds5

About N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide

N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide (PubChem CID 91566469) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide
PubChem CID91566469
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide
SMILESCCC(C)(C)CCN(C)C(=O)C1=CCC(C)CC1
InChIInChI=1S/C16H29NO/c1-6-16(3,4)11-12-17(5)15(18)14-9-7-13(2)8-10-14/h9,13H,6-8,10-12H2,1-5H3
InChIKeyYWLQELXYUQKXAG-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide?
The IUPAC name of N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide (CID 91566469) is N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide.
What is the SMILES notation for N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide?
The canonical SMILES for N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide is CCC(C)(C)CCN(C)C(=O)C1=CCC(C)CC1.
What is the InChIKey of N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide?
The InChIKey is YWLQELXYUQKXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-6-16(3,4)11-12-17(5)15(18)14-9-7-13(2)8-10-14/h9,13H,6-8,10-12H2,1-5H3.
What are the key properties of N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide?
N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide has a molecular weight of 251.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylpentyl)-N,4-dimethylcyclohexene-1-carboxamide is sourced from PubChem (CID 91566469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).