N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride

C24H48ClN — CID 88725807

IUPACN,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
SMILESC=CCN(CC=C)CCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C24H47N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-25(22-5-2)23-6-3;/h5-6H,2-4,7-24H2,1H3;1H
InChIKeySQUQLLWXECGMLO-UHFFFAOYSA-N
MW386.11 g/mol
LogP8.34
Rot. Bonds21

About N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride

N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride (PubChem CID 88725807) has the molecular formula C24H48ClN and a molecular weight of 386.11 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
PubChem CID88725807
Molecular FormulaC24H48ClN
Molecular Weight386.11 g/mol
Exact Mass385.35
IUPAC NameN,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
SMILESC=CCN(CC=C)CCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C24H47N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-25(22-5-2)23-6-3;/h5-6H,2-4,7-24H2,1H3;1H
InChIKeySQUQLLWXECGMLO-UHFFFAOYSA-N
XLogP8.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.11
LogP ≤ 58.34
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'}

Analyze N,N-bis(prop-2-enyl)octadecan-1-amine;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

N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 174680920
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride
CID 173181442
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658
N,N-dioctadecyloctadecan-1-amine;hydrochloride
CID 45050162
N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
CID 174528085
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine
CID 62437868
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
N,N-dipentyltridecan-1-amine
CID 139723521
N,N-dipentylpentadecan-1-amine
CID 139722952

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride?
The IUPAC name of N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride (CID 88725807) is N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride.
What is the SMILES notation for N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride?
The canonical SMILES for N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride is C=CCN(CC=C)CCCCCCCCCCCCCCCCCC.Cl.
What is the InChIKey of N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride?
The InChIKey is SQUQLLWXECGMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-25(22-5-2)23-6-3;/h5-6H,2-4,7-24H2,1H3;1H.
What are the key properties of N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride?
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride has a molecular weight of 386.11 g/mol, XLogP of 8.34, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride is sourced from PubChem (CID 88725807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).