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

C21H45BrN2O — CID 173350298

IUPACN,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
SMILESBr.CCCC=C(C)C(N)=O.CCCCCCCCCCCCN(C)C
InChIInChI=1S/C14H31N.C7H13NO.BrH/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);1H
InChIKeyDGIKWMYHVBARLE-UHFFFAOYSA-N
MW421.51 g/mol
LogP6.26
Rot. Bonds14

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

N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide (PubChem CID 173350298) has the molecular formula C21H45BrN2O and a molecular weight of 421.51 g/mol. Its IUPAC name is N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide.

Molecular Properties

Compound NameN,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
PubChem CID173350298
Molecular FormulaC21H45BrN2O
Molecular Weight421.51 g/mol
Exact Mass420.27
IUPAC NameN,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
SMILESBr.CCCC=C(C)C(N)=O.CCCCCCCCCCCCN(C)C
InChIInChI=1S/C14H31N.C7H13NO.BrH/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);1H
InChIKeyDGIKWMYHVBARLE-UHFFFAOYSA-N
XLogP6.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.51
LogP ≤ 56.26
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 N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide 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,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
(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-methylhept-2-enamide;hydrate
CID 172812574
2-methylhex-2-enamide;propan-1-amine
CID 174435970
N,N-dimethylhexan-1-amine;hexanediamide
CID 174907483
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide
CID 173350246

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide?
The IUPAC name of N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide (CID 173350298) is N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide.
What is the SMILES notation for N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide?
The canonical SMILES for N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide is Br.CCCC=C(C)C(N)=O.CCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide?
The InChIKey is DGIKWMYHVBARLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.C7H13NO.BrH/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);1H.
What are the key properties of N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide?
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide has a molecular weight of 421.51 g/mol, XLogP of 6.26, 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;hydrobromide is sourced from PubChem (CID 173350298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).