N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide

C21H44N2O — CID 173350322

IUPACN,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
SMILESCCCC=C(C)C(N)=O.CCCCCCCCCCCCN(C)C
InChIInChI=1S/C14H31N.C7H13NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-4-5-6(2)7(8)9/h4-14H2,1-3H3;5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyHDCXCJMWWTZVIC-UHFFFAOYSA-N
MW340.60 g/mol
LogP5.69
Rot. Bonds14

About N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide

N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide (PubChem CID 173350322) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide.

Molecular Properties

Compound NameN,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
PubChem CID173350322
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC NameN,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
SMILESCCCC=C(C)C(N)=O.CCCCCCCCCCCCN(C)C
InChIInChI=1S/C14H31N.C7H13NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-4-5-6(2)7(8)9/h4-14H2,1-3H3;5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyHDCXCJMWWTZVIC-UHFFFAOYSA-N
XLogP5.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 55.69
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'}

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Related Compounds

N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
CID 173350298
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
2-methylhex-2-enamide;hydrochloride
CID 141109029
5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride
CID 141073365
N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide
CID 158002582
acetic acid;N,N-dimethyldodecan-1-amine;guanidine
CID 174976714
2-methylhex-2-enamide;propan-1-amine
CID 174435970
2-methylhept-2-enamide;hydrate
CID 172812574
N,N-dimethylhexan-1-amine;hexanediamide
CID 174907483
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide?
The IUPAC name of N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide (CID 173350322) is N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide.
What is the SMILES notation for N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide?
The canonical SMILES for N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide is CCCC=C(C)C(N)=O.CCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide?
The InChIKey is HDCXCJMWWTZVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.C7H13NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-4-5-6(2)7(8)9/h4-14H2,1-3H3;5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide?
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide has a molecular weight of 340.60 g/mol, XLogP of 5.69, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide is sourced from PubChem (CID 173350322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).