bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide

C34H74IN3O — CID 173363962

IUPACbis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide
SMILESC=CC(=O)NCCC.CCCCCCCCCCCCN(C)C.CCCCCCCCCCCCN(C)C.I
InChIInChI=1S/2C14H31N.C6H11NO.HI/c2*1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-5-7-6(8)4-2;/h2*4-14H2,1-3H3;4H,2-3,5H2,1H3,(H,7,8);1H
InChIKeyWTJLRQGEMGEEDY-UHFFFAOYSA-N
MW667.89 g/mol
LogP10.25
Rot. Bonds25

About bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide

bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide (PubChem CID 173363962) has the molecular formula C34H74IN3O and a molecular weight of 667.89 g/mol. Its IUPAC name is bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide.

Molecular Properties

Compound Namebis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide
PubChem CID173363962
Molecular FormulaC34H74IN3O
Molecular Weight667.89 g/mol
Exact Mass667.49
IUPAC Namebis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide
SMILESC=CC(=O)NCCC.CCCCCCCCCCCCN(C)C.CCCCCCCCCCCCN(C)C.I
InChIInChI=1S/2C14H31N.C6H11NO.HI/c2*1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-5-7-6(8)4-2;/h2*4-14H2,1-3H3;4H,2-3,5H2,1H3,(H,7,8);1H
InChIKeyWTJLRQGEMGEEDY-UHFFFAOYSA-N
XLogP10.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.89
LogP ≤ 510.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
CID 118567429
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-heptadecylprop-2-enamide
CID 20727742
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide?
The IUPAC name of bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide (CID 173363962) is bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide.
What is the SMILES notation for bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide?
The canonical SMILES for bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide is C=CC(=O)NCCC.CCCCCCCCCCCCN(C)C.CCCCCCCCCCCCN(C)C.I.
What is the InChIKey of bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide?
The InChIKey is WTJLRQGEMGEEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H31N.C6H11NO.HI/c2*1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-5-7-6(8)4-2;/h2*4-14H2,1-3H3;4H,2-3,5H2,1H3,(H,7,8);1H.
What are the key properties of bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide?
bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide has a molecular weight of 667.89 g/mol, XLogP of 10.25, 25 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide is sourced from PubChem (CID 173363962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).