N-(4-aminobutyl)-N-methylcyclohexanecarboxamide

C12H24N2O — CID 67635638

IUPACN-(4-aminobutyl)-N-methylcyclohexanecarboxamide
SMILESCN(CCCCN)C(=O)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-14(10-6-5-9-13)12(15)11-7-3-2-4-8-11/h11H,2-10,13H2,1H3
InChIKeyOSEMJADSCMFKGN-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds5

About N-(4-aminobutyl)-N-methylcyclohexanecarboxamide

N-(4-aminobutyl)-N-methylcyclohexanecarboxamide (PubChem CID 67635638) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(4-aminobutyl)-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-N-methylcyclohexanecarboxamide
PubChem CID67635638
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(4-aminobutyl)-N-methylcyclohexanecarboxamide
SMILESCN(CCCCN)C(=O)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-14(10-6-5-9-13)12(15)11-7-3-2-4-8-11/h11H,2-10,13H2,1H3
InChIKeyOSEMJADSCMFKGN-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
N-(3-bromopropyl)-N-methylcyclooctanecarboxamide
CID 106441097
N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107206590
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboxamide
CID 110482195
N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107206782
N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 81483380
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107206663

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-N-methylcyclohexanecarboxamide?
The IUPAC name of N-(4-aminobutyl)-N-methylcyclohexanecarboxamide (CID 67635638) is N-(4-aminobutyl)-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-(4-aminobutyl)-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-(4-aminobutyl)-N-methylcyclohexanecarboxamide is CN(CCCCN)C(=O)C1CCCCC1.
What is the InChIKey of N-(4-aminobutyl)-N-methylcyclohexanecarboxamide?
The InChIKey is OSEMJADSCMFKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14(10-6-5-9-13)12(15)11-7-3-2-4-8-11/h11H,2-10,13H2,1H3.
What are the key properties of N-(4-aminobutyl)-N-methylcyclohexanecarboxamide?
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 67635638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).