N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C14H25NO — CID 10176881

IUPACN-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NC2CC2)C1
InChIInChI=1S/C14H25NO/c1-9(2)12-7-4-10(3)8-13(12)14(16)15-11-5-6-11/h9-13H,4-8H2,1-3H3,(H,15,16)
InChIKeyTYANUEJCOOHPGR-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.97
Rot. Bonds3

About N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 10176881) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID10176881
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NC2CC2)C1
InChIInChI=1S/C14H25NO/c1-9(2)12-7-4-10(3)8-13(12)14(16)15-11-5-6-11/h9-13H,4-8H2,1-3H3,(H,15,16)
InChIKeyTYANUEJCOOHPGR-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 10176881) is N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is TYANUEJCOOHPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-9(2)12-7-4-10(3)8-13(12)14(16)15-11-5-6-11/h9-13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 223.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 10176881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).