4-amino-N,N-dibutyl-2-methylidenebutanamide

C13H26N2O — CID 87759392

IUPAC4-amino-N,N-dibutyl-2-methylidenebutanamide
SMILESC=C(CCN)C(=O)N(CCCC)CCCC
InChIInChI=1S/C13H26N2O/c1-4-6-10-15(11-7-5-2)13(16)12(3)8-9-14/h3-11,14H2,1-2H3
InChIKeyYVNKIQXLZLOALM-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.32
Rot. Bonds9

About 4-amino-N,N-dibutyl-2-methylidenebutanamide

4-amino-N,N-dibutyl-2-methylidenebutanamide (PubChem CID 87759392) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-amino-N,N-dibutyl-2-methylidenebutanamide.

Molecular Properties

Compound Name4-amino-N,N-dibutyl-2-methylidenebutanamide
PubChem CID87759392
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-amino-N,N-dibutyl-2-methylidenebutanamide
SMILESC=C(CCN)C(=O)N(CCCC)CCCC
InChIInChI=1S/C13H26N2O/c1-4-6-10-15(11-7-5-2)13(16)12(3)8-9-14/h3-11,14H2,1-2H3
InChIKeyYVNKIQXLZLOALM-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-amino-N,N-dibutyl-2-methylidenebutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-2-methylidene-N-propylpentanamide
CID 19764256
2-methylidene-N,N-dipropylhexanamide
CID 87269108
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride
CID 119294872
6-amino-N,N-dibutyl-2-methylhex-2-enamide
CID 172998500
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N,N,N',N'-tetrahexyloxamide
CID 6424911
7-amino-N,N-dibutyl-2-methylhept-2-enamide
CID 173212565
N-(3-aminopropyl)-N-butylpropanamide;ethane
CID 142121594
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
N',N'-dioctadecyloxamide
CID 54497742

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dibutyl-2-methylidenebutanamide?
The IUPAC name of 4-amino-N,N-dibutyl-2-methylidenebutanamide (CID 87759392) is 4-amino-N,N-dibutyl-2-methylidenebutanamide.
What is the SMILES notation for 4-amino-N,N-dibutyl-2-methylidenebutanamide?
The canonical SMILES for 4-amino-N,N-dibutyl-2-methylidenebutanamide is C=C(CCN)C(=O)N(CCCC)CCCC.
What is the InChIKey of 4-amino-N,N-dibutyl-2-methylidenebutanamide?
The InChIKey is YVNKIQXLZLOALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-10-15(11-7-5-2)13(16)12(3)8-9-14/h3-11,14H2,1-2H3.
What are the key properties of 4-amino-N,N-dibutyl-2-methylidenebutanamide?
4-amino-N,N-dibutyl-2-methylidenebutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dibutyl-2-methylidenebutanamide is sourced from PubChem (CID 87759392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).