N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide

C14H23NO — CID 83278369

IUPACN-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C14H23NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h7,13H,1-6,8-11H2,(H,15,16)
InChIKeyJUXGWFCYKWQNTJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.18
Rot. Bonds3

About N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide

N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide (PubChem CID 83278369) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide
PubChem CID83278369
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C14H23NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h7,13H,1-6,8-11H2,(H,15,16)
InChIKeyJUXGWFCYKWQNTJ-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide (CID 83278369) is N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide is O=C(NCC1=CCCCC1)C1CCCCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide?
The InChIKey is JUXGWFCYKWQNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h7,13H,1-6,8-11H2,(H,15,16).
What are the key properties of N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide?
N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide has a molecular weight of 221.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 83278369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).