azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride

C21H46ClN3O — CID 175945005

IUPACazane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride
SMILESCCCCCCCCCCCCC(CCCN(C)C)=C(C)C(N)=O.Cl.N
InChIInChI=1S/C21H42N2O.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-16-20(19(2)21(22)24)17-15-18-23(3)4;;/h5-18H2,1-4H3,(H2,22,24);1H;1H3
InChIKeyDKFVQYLREWPDEX-UHFFFAOYSA-N
MW392.07 g/mol
LogP6.02
Rot. Bonds16

About azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride

azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride (PubChem CID 175945005) has the molecular formula C21H46ClN3O and a molecular weight of 392.07 g/mol. Its IUPAC name is azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride.

Molecular Properties

Compound Nameazane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride
PubChem CID175945005
Molecular FormulaC21H46ClN3O
Molecular Weight392.07 g/mol
Exact Mass391.33
IUPAC Nameazane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride
SMILESCCCCCCCCCCCCC(CCCN(C)C)=C(C)C(N)=O.Cl.N
InChIInChI=1S/C21H42N2O.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-16-20(19(2)21(22)24)17-15-18-23(3)4;;/h5-18H2,1-4H3,(H2,22,24);1H;1H3
InChIKeyDKFVQYLREWPDEX-UHFFFAOYSA-N
XLogP6.02
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.07
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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CID 174907483
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N,N-dimethylicosan-1-amine;hexanoic acid
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1-(dimethylamino)nonadecan-3-one;hydrochloride
CID 160791865
N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide
CID 173350246
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
acetamide;decanamide;dihydrochloride
CID 141131942
(Z)-3-[(dimethylamino)methyl]-2-methylhex-2-enamide
CID 140739984
decanoic acid;N',N'-dimethylpropane-1,3-diamine
CID 172855493
N',N'-dimethylpropane-1,3-diamine;octanoic acid
CID 172808646
3-(dimethylamino)propanamide;docosanoic acid
CID 87446955

Frequently Asked Questions

What is the IUPAC name of azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride?
The IUPAC name of azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride (CID 175945005) is azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride.
What is the SMILES notation for azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride?
The canonical SMILES for azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride is CCCCCCCCCCCCC(CCCN(C)C)=C(C)C(N)=O.Cl.N.
What is the InChIKey of azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride?
The InChIKey is DKFVQYLREWPDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-16-20(19(2)21(22)24)17-15-18-23(3)4;;/h5-18H2,1-4H3,(H2,22,24);1H;1H3.
What are the key properties of azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride?
azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride has a molecular weight of 392.07 g/mol, XLogP of 6.02, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride is sourced from PubChem (CID 175945005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).