azane;4,4-dimethylhenicos-1-ene;hydrochloride

C23H50ClN — CID 174854097

IUPACazane;4,4-dimethylhenicos-1-ene;hydrochloride
SMILESC=CCC(C)(C)CCCCCCCCCCCCCCCCC.Cl.N
InChIInChI=1S/C23H46.ClH.H3N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3,4)21-6-2;;/h6H,2,5,7-22H2,1,3-4H3;1H;1H3
InChIKeyPCQTZQZDQLIXNP-UHFFFAOYSA-N
MW376.11 g/mol
LogP9.43
Rot. Bonds18

About azane;4,4-dimethylhenicos-1-ene;hydrochloride

azane;4,4-dimethylhenicos-1-ene;hydrochloride (PubChem CID 174854097) has the molecular formula C23H50ClN and a molecular weight of 376.11 g/mol. Its IUPAC name is azane;4,4-dimethylhenicos-1-ene;hydrochloride.

Molecular Properties

Compound Nameazane;4,4-dimethylhenicos-1-ene;hydrochloride
PubChem CID174854097
Molecular FormulaC23H50ClN
Molecular Weight376.11 g/mol
Exact Mass375.36
IUPAC Nameazane;4,4-dimethylhenicos-1-ene;hydrochloride
SMILESC=CCC(C)(C)CCCCCCCCCCCCCCCCC.Cl.N
InChIInChI=1S/C23H46.ClH.H3N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3,4)21-6-2;;/h6H,2,5,7-22H2,1,3-4H3;1H;1H3
InChIKeyPCQTZQZDQLIXNP-UHFFFAOYSA-N
XLogP9.43
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.11
LogP ≤ 59.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze azane;4,4-dimethylhenicos-1-ene;hydrochloride 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

4,4-dimethylhenicosa-1,20-diene
CID 173392641
15-chloro-4,4-dimethylpentadec-1-ene
CID 174926161
16,16,21,21-tetramethylhexatriacontane
CID 174880889
4-methyl-4-methylselanyldec-1-ene
CID 13321274
4-chloro-4-prop-2-enylhexadec-1-ene
CID 88822813
4-prop-2-enylpentadec-1-en-4-amine;hydrobromide
CID 175561097
4,4,7-trimethylundec-1-ene
CID 143332601
non-1-ene-4,4-diol
CID 87592774
1-ethenoxy-2,2-dimethyldecane
CID 19077777
3,3-dimethyldodecane
CID 15930786
3,3-dimethylpentadecane
CID 86034940
2,2-bis(prop-2-enyl)heptanenitrile
CID 87904800

Frequently Asked Questions

What is the IUPAC name of azane;4,4-dimethylhenicos-1-ene;hydrochloride?
The IUPAC name of azane;4,4-dimethylhenicos-1-ene;hydrochloride (CID 174854097) is azane;4,4-dimethylhenicos-1-ene;hydrochloride.
What is the SMILES notation for azane;4,4-dimethylhenicos-1-ene;hydrochloride?
The canonical SMILES for azane;4,4-dimethylhenicos-1-ene;hydrochloride is C=CCC(C)(C)CCCCCCCCCCCCCCCCC.Cl.N.
What is the InChIKey of azane;4,4-dimethylhenicos-1-ene;hydrochloride?
The InChIKey is PCQTZQZDQLIXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46.ClH.H3N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3,4)21-6-2;;/h6H,2,5,7-22H2,1,3-4H3;1H;1H3.
What are the key properties of azane;4,4-dimethylhenicos-1-ene;hydrochloride?
azane;4,4-dimethylhenicos-1-ene;hydrochloride has a molecular weight of 376.11 g/mol, XLogP of 9.43, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4,4-dimethylhenicos-1-ene;hydrochloride is sourced from PubChem (CID 174854097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).