6-amino-N,N-dibutyl-2-methylhex-2-enamide

C15H30N2O — CID 172998500

IUPAC6-amino-N,N-dibutyl-2-methylhex-2-enamide
SMILESCCCCN(CCCC)C(=O)C(C)=CCCCN
InChIInChI=1S/C15H30N2O/c1-4-6-12-17(13-7-5-2)15(18)14(3)10-8-9-11-16/h10H,4-9,11-13,16H2,1-3H3
InChIKeySSCALUWKLYRYAU-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.10
Rot. Bonds10

About 6-amino-N,N-dibutyl-2-methylhex-2-enamide

6-amino-N,N-dibutyl-2-methylhex-2-enamide (PubChem CID 172998500) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 6-amino-N,N-dibutyl-2-methylhex-2-enamide.

Molecular Properties

Compound Name6-amino-N,N-dibutyl-2-methylhex-2-enamide
PubChem CID172998500
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name6-amino-N,N-dibutyl-2-methylhex-2-enamide
SMILESCCCCN(CCCC)C(=O)C(C)=CCCCN
InChIInChI=1S/C15H30N2O/c1-4-6-12-17(13-7-5-2)15(18)14(3)10-8-9-11-16/h10H,4-9,11-13,16H2,1-3H3
InChIKeySSCALUWKLYRYAU-UHFFFAOYSA-N
XLogP3.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-N,N-dibutyl-2-methylhex-2-enamide 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

7-amino-N,N-dibutyl-2-methylhept-2-enamide
CID 173212565
N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide
CID 61217313
6-amino-2-methylhex-2-enamide
CID 54113800
4-amino-N,N-dibutyl-2-methylidenebutanamide
CID 87759392
N-(3-aminopropyl)-N-butylpropanamide;ethane
CID 142121594
2-methylhept-2-enamide;hydrate
CID 172812574
(E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide
CID 143023885
(Z)-3-methylnon-3-en-2-one
CID 98567788
2-methylnonacos-2-enamide
CID 141002865
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
(E)-2-methylhexadec-2-enamide
CID 87240184
8-amino-2-methyloct-2-enoic acid
CID 90963841

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,N-dibutyl-2-methylhex-2-enamide?
The IUPAC name of 6-amino-N,N-dibutyl-2-methylhex-2-enamide (CID 172998500) is 6-amino-N,N-dibutyl-2-methylhex-2-enamide.
What is the SMILES notation for 6-amino-N,N-dibutyl-2-methylhex-2-enamide?
The canonical SMILES for 6-amino-N,N-dibutyl-2-methylhex-2-enamide is CCCCN(CCCC)C(=O)C(C)=CCCCN.
What is the InChIKey of 6-amino-N,N-dibutyl-2-methylhex-2-enamide?
The InChIKey is SSCALUWKLYRYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-6-12-17(13-7-5-2)15(18)14(3)10-8-9-11-16/h10H,4-9,11-13,16H2,1-3H3.
What are the key properties of 6-amino-N,N-dibutyl-2-methylhex-2-enamide?
6-amino-N,N-dibutyl-2-methylhex-2-enamide has a molecular weight of 254.42 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,N-dibutyl-2-methylhex-2-enamide is sourced from PubChem (CID 172998500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).