N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide

C10H17NO — CID 90820032

IUPACN,N-dimethyl-3-methylidenecyclohexane-1-carboxamide
SMILESC=C1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C10H17NO/c1-8-5-4-6-9(7-8)10(12)11(2)3/h9H,1,4-7H2,2-3H3
InChIKeyHGTXOWISLSBWCB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds1

About N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide

N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide (PubChem CID 90820032) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-methylidenecyclohexane-1-carboxamide
PubChem CID90820032
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN,N-dimethyl-3-methylidenecyclohexane-1-carboxamide
SMILESC=C1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C10H17NO/c1-8-5-4-6-9(7-8)10(12)11(2)3/h9H,1,4-7H2,2-3H3
InChIKeyHGTXOWISLSBWCB-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
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,N-dimethyl-3-methylidenecyclohexane-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide (CID 90820032) is N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide is C=C1CCCC(C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide?
The InChIKey is HGTXOWISLSBWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-5-4-6-9(7-8)10(12)11(2)3/h9H,1,4-7H2,2-3H3.
What are the key properties of N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide?
N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-methylidenecyclohexane-1-carboxamide is sourced from PubChem (CID 90820032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).