2-(nonadecan-3-ylamino)hexadec-1-en-3-ol

C35H71NO — CID 143093240

IUPAC2-(nonadecan-3-ylamino)hexadec-1-en-3-ol
SMILESC=C(NC(CC)CCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCC
InChIInChI=1S/C35H71NO/c1-5-8-10-12-14-16-18-19-20-22-23-25-27-29-31-34(7-3)36-33(4)35(37)32-30-28-26-24-21-17-15-13-11-9-6-2/h34-37H,4-32H2,1-3H3
InChIKeyCXZUITUXVJYFHZ-UHFFFAOYSA-N
MW521.96 g/mol
LogP11.80
Rot. Bonds31

About 2-(nonadecan-3-ylamino)hexadec-1-en-3-ol

2-(nonadecan-3-ylamino)hexadec-1-en-3-ol (PubChem CID 143093240) has the molecular formula C35H71NO and a molecular weight of 521.96 g/mol. Its IUPAC name is 2-(nonadecan-3-ylamino)hexadec-1-en-3-ol.

Molecular Properties

Compound Name2-(nonadecan-3-ylamino)hexadec-1-en-3-ol
PubChem CID143093240
Molecular FormulaC35H71NO
Molecular Weight521.96 g/mol
Exact Mass521.55
IUPAC Name2-(nonadecan-3-ylamino)hexadec-1-en-3-ol
SMILESC=C(NC(CC)CCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCC
InChIInChI=1S/C35H71NO/c1-5-8-10-12-14-16-18-19-20-22-23-25-27-29-31-34(7-3)36-33(4)35(37)32-30-28-26-24-21-17-15-13-11-9-6-2/h34-37H,4-32H2,1-3H3
InChIKeyCXZUITUXVJYFHZ-UHFFFAOYSA-N
XLogP11.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.96
LogP ≤ 511.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(nonadecan-3-ylamino)hexadec-1-en-3-ol 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

2-(3-Hydroxypentacos-1-en-2-ylamino)octadecane-1,3,4-triol
CID 89098944
trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol
CID 89175277
1-[(4-Hydroxy-5-methylhex-5-en-3-yl)amino]octadecan-1-ol
CID 91342522
1-[Heptadec-1-en-2-yl(2-hydroxyethyl)amino]henicosan-2-ol
CID 132149793
Ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol
CID 142924888
(2R,4R)-2-(non-1-en-2-ylamino)octadecane-1,4-diol
CID 156073793
2-(Pentylamino)non-1-en-3-ol
CID 167158137
2-(Tricos-1-en-2-ylamino)pentan-1-ol
CID 172373097
1-Methoxy-2-(nonadec-1-en-2-ylamino)octadecan-3-ol
CID 174306064
1-(3-Methylidenehexylamino)dodecan-2-ol
CID 176555523
(2R,3R,4R)-2-(nonadec-1-en-2-ylamino)octadecane-1,3,4-triol
CID 46235330
1-(3-Hydroxyprop-1-en-2-ylamino)pentadecan-1-ol
CID 142924890

Frequently Asked Questions

What is the IUPAC name of 2-(nonadecan-3-ylamino)hexadec-1-en-3-ol?
The IUPAC name of 2-(nonadecan-3-ylamino)hexadec-1-en-3-ol (CID 143093240) is 2-(nonadecan-3-ylamino)hexadec-1-en-3-ol.
What is the SMILES notation for 2-(nonadecan-3-ylamino)hexadec-1-en-3-ol?
The canonical SMILES for 2-(nonadecan-3-ylamino)hexadec-1-en-3-ol is C=C(NC(CC)CCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCC.
What is the InChIKey of 2-(nonadecan-3-ylamino)hexadec-1-en-3-ol?
The InChIKey is CXZUITUXVJYFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71NO/c1-5-8-10-12-14-16-18-19-20-22-23-25-27-29-31-34(7-3)36-33(4)35(37)32-30-28-26-24-21-17-15-13-11-9-6-2/h34-37H,4-32H2,1-3H3.
What are the key properties of 2-(nonadecan-3-ylamino)hexadec-1-en-3-ol?
2-(nonadecan-3-ylamino)hexadec-1-en-3-ol has a molecular weight of 521.96 g/mol, XLogP of 11.80, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonadecan-3-ylamino)hexadec-1-en-3-ol is sourced from PubChem (CID 143093240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).