N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide

C13H23NO — CID 91270181

IUPACN-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide
SMILESC=C1CCCC(C(=O)N(C)CCCC)C1
InChIInChI=1S/C13H23NO/c1-4-5-9-14(3)13(15)12-8-6-7-11(2)10-12/h12H,2,4-10H2,1,3H3
InChIKeyPXFBTABSHUIIHU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds4

About N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide

N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide (PubChem CID 91270181) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide
PubChem CID91270181
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide
SMILESC=C1CCCC(C(=O)N(C)CCCC)C1
InChIInChI=1S/C13H23NO/c1-4-5-9-14(3)13(15)12-8-6-7-11(2)10-12/h12H,2,4-10H2,1,3H3
InChIKeyPXFBTABSHUIIHU-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
Cyclohexanecarboxamide, N,N-dibutyl-
CID 533209
N,N-bis(2-methylpropyl)cyclohexanecarboxamide
CID 896672
2-fluoro-N,N-dimethyl-4-methylidenecyclohexane-1-carboxamide
CID 91204560
(2-Fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone
CID 91216241
3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide
CID 178053917
N,N-Diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide
CID 70476973
N-butyl-N-propylcyclohexanecarboxamide
CID 71107550
N,N-bis(prop-2-enyl)cyclohexanecarboxamide
CID 3284137
1-Methyl-3-pent-4-enylpiperidin-2-one
CID 11789834
N-butyl-N-ethylcyclohexanecarboxamide
CID 84368319

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide?
The IUPAC name of N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide (CID 91270181) is N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide?
The canonical SMILES for N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide is C=C1CCCC(C(=O)N(C)CCCC)C1.
What is the InChIKey of N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide?
The InChIKey is PXFBTABSHUIIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-5-9-14(3)13(15)12-8-6-7-11(2)10-12/h12H,2,4-10H2,1,3H3.
What are the key properties of N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide?
N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide has a molecular weight of 209.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide is sourced from PubChem (CID 91270181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).