azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide

C25H53BrN2O — CID 173358053

IUPACazane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC/C(C)=C(\C)C(=O)N(C)CCC.N
InChIInChI=1S/C25H49NO.BrH.H3N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3)24(4)25(27)26(5)22-7-2;;/h6-22H2,1-5H3;1H;1H3/b24-23+;;
InChIKeyVYCNEUILSBRZNO-KPOOZVEVSA-N
MW477.62 g/mol
LogP8.80
Rot. Bonds18

About azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide

azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide (PubChem CID 173358053) has the molecular formula C25H53BrN2O and a molecular weight of 477.62 g/mol. Its IUPAC name is azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide.

Molecular Properties

Compound Nameazane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide
PubChem CID173358053
Molecular FormulaC25H53BrN2O
Molecular Weight477.62 g/mol
Exact Mass476.33
IUPAC Nameazane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC/C(C)=C(\C)C(=O)N(C)CCC.N
InChIInChI=1S/C25H49NO.BrH.H3N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3)24(4)25(27)26(5)22-7-2;;/h6-22H2,1-5H3;1H;1H3/b24-23+;;
InChIKeyVYCNEUILSBRZNO-KPOOZVEVSA-N
XLogP8.80
TPSA55.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.62
LogP ≤ 58.80
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

(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162
N-methyl-N-propylacetamide;octadecanamide
CID 174331077
9,10,11,12-tetramethyloctadeca-9,11-dienoic acid
CID 76806265
azane;methyl 2,3-dimethylhenicos-2-enoate
CID 174823246
8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid
CID 76806274
8,9-dimethylhexadec-8-ene
CID 140717938
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
methyl 2,3-dimethyltetradec-2-enoate
CID 175495328
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
(E)-3-(dimethylamino)-2-methyltridec-2-enoic acid
CID 87206678

Frequently Asked Questions

What is the IUPAC name of azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide?
The IUPAC name of azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide (CID 173358053) is azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide.
What is the SMILES notation for azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide?
The canonical SMILES for azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide is Br.CCCCCCCCCCCCCCCC/C(C)=C(\C)C(=O)N(C)CCC.N.
What is the InChIKey of azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide?
The InChIKey is VYCNEUILSBRZNO-KPOOZVEVSA-N. The full InChI is InChI=1S/C25H49NO.BrH.H3N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3)24(4)25(27)26(5)22-7-2;;/h6-22H2,1-5H3;1H;1H3/b24-23+;;.
What are the key properties of azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide?
azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide has a molecular weight of 477.62 g/mol, XLogP of 8.80, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide is sourced from PubChem (CID 173358053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).