N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride

C24H50ClN — CID 173089896

IUPACN,N,2-trimethylhenicos-1-en-3-amine;hydrochloride
SMILESC=C(C)C(CCCCCCCCCCCCCCCCCC)N(C)C.Cl
InChIInChI=1S/C24H49N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23(2)3)25(4)5;/h24H,2,6-22H2,1,3-5H3;1H
InChIKeySKIVRCGJXSGTBV-UHFFFAOYSA-N
MW388.12 g/mol
LogP8.57
Rot. Bonds19

About N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride

N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride (PubChem CID 173089896) has the molecular formula C24H50ClN and a molecular weight of 388.12 g/mol. Its IUPAC name is N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride.

Molecular Properties

Compound NameN,N,2-trimethylhenicos-1-en-3-amine;hydrochloride
PubChem CID173089896
Molecular FormulaC24H50ClN
Molecular Weight388.12 g/mol
Exact Mass387.36
IUPAC NameN,N,2-trimethylhenicos-1-en-3-amine;hydrochloride
SMILESC=C(C)C(CCCCCCCCCCCCCCCCCC)N(C)C.Cl
InChIInChI=1S/C24H49N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23(2)3)25(4)5;/h24H,2,6-22H2,1,3-5H3;1H
InChIKeySKIVRCGJXSGTBV-UHFFFAOYSA-N
XLogP8.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.12
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)tetracosanoic acid
CID 19101458
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
(6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine
CID 146245977
2-(dimethylamino)hexadecanoic acid;methoxymethane
CID 175149537
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
3-ethyl-2-methyldodec-1-ene
CID 174845873
2-(dimethylamino)tetradecanoate;trimethylazanium
CID 141413002
dodecane-1,1-diol;dihydrochloride
CID 87128887
1-(dimethylamino)pentadecan-1-ol
CID 87151804
2-(dimethylamino)icosanoic acid;2-(dimethylamino)propanoic acid
CID 174688872

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride?
The IUPAC name of N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride (CID 173089896) is N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride.
What is the SMILES notation for N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride?
The canonical SMILES for N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride is C=C(C)C(CCCCCCCCCCCCCCCCCC)N(C)C.Cl.
What is the InChIKey of N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride?
The InChIKey is SKIVRCGJXSGTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23(2)3)25(4)5;/h24H,2,6-22H2,1,3-5H3;1H.
What are the key properties of N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride?
N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride has a molecular weight of 388.12 g/mol, XLogP of 8.57, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride is sourced from PubChem (CID 173089896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).