1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide

C14H27NO — CID 71902379

IUPAC1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide
SMILESCC(C)CCC(C)NC(=O)C1(C)CCCC1
InChIInChI=1S/C14H27NO/c1-11(2)7-8-12(3)15-13(16)14(4)9-5-6-10-14/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyJJEWGKMBIHFWQL-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.51
Rot. Bonds5

About 1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide

1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide (PubChem CID 71902379) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide
PubChem CID71902379
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide
SMILESCC(C)CCC(C)NC(=O)C1(C)CCCC1
InChIInChI=1S/C14H27NO/c1-11(2)7-8-12(3)15-13(16)14(4)9-5-6-10-14/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyJJEWGKMBIHFWQL-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide (CID 71902379) is 1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide is CC(C)CCC(C)NC(=O)C1(C)CCCC1.
What is the InChIKey of 1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is JJEWGKMBIHFWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)7-8-12(3)15-13(16)14(4)9-5-6-10-14/h11-12H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide?
1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 225.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 71902379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).