N-(4-aminobutyl)-N-methylbenzamide

C12H18N2O — CID 119088367

IUPACN-(4-aminobutyl)-N-methylbenzamide
SMILESCN(CCCCN)C(=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-14(10-6-5-9-13)12(15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10,13H2,1H3
InChIKeyKFYQVOSXJVTSGV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.50
Rot. Bonds5

About N-(4-aminobutyl)-N-methylbenzamide

N-(4-aminobutyl)-N-methylbenzamide (PubChem CID 119088367) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(4-aminobutyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-N-methylbenzamide
PubChem CID119088367
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(4-aminobutyl)-N-methylbenzamide
SMILESCN(CCCCN)C(=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-14(10-6-5-9-13)12(15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10,13H2,1H3
InChIKeyKFYQVOSXJVTSGV-UHFFFAOYSA-N
XLogP1.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.50
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-(2-aminoethyl)-N-methylbenzamide
CID 28707416
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N,N-bis(6-aminohexyl)benzamide
CID 68737596
N-(3-aminopropyl)-N-(2-methylphenyl)benzamide
CID 28766808
N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide
CID 107206523
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
N-(3-aminopropyl)-2-iodo-N-methylbenzamide
CID 81483846
N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 115318936
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
N-but-3-ynyl-N-methylbenzamide
CID 10773933
ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide
CID 142036974
3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
CID 119733712

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-N-methylbenzamide?
The IUPAC name of N-(4-aminobutyl)-N-methylbenzamide (CID 119088367) is N-(4-aminobutyl)-N-methylbenzamide.
What is the SMILES notation for N-(4-aminobutyl)-N-methylbenzamide?
The canonical SMILES for N-(4-aminobutyl)-N-methylbenzamide is CN(CCCCN)C(=O)c1ccccc1.
What is the InChIKey of N-(4-aminobutyl)-N-methylbenzamide?
The InChIKey is KFYQVOSXJVTSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(10-6-5-9-13)12(15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10,13H2,1H3.
What are the key properties of N-(4-aminobutyl)-N-methylbenzamide?
N-(4-aminobutyl)-N-methylbenzamide has a molecular weight of 206.29 g/mol, XLogP of 1.50, 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-methylbenzamide is sourced from PubChem (CID 119088367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).