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

N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-butyl-N-methyloxetane-3-carboxamide
CID 176663831
N,1-dimethyl-N-octylpiperidine-3-carboxamide
CID 14306886
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide
CID 144530492
N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide
CID 111105976
N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 10257104
N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide
CID 67873605
N-(3-bromopropyl)-N-methylcyclooctanecarboxamide
CID 106441097
4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149814

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).