N-propylhexadecan-1-amine;hydroiodide

C19H42IN — CID 175532385

IUPACN-propylhexadecan-1-amine;hydroiodide
SMILESCCCCCCCCCCCCCCCCNCCC.I
InChIInChI=1S/C19H41N.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2;/h20H,3-19H2,1-2H3;1H
InChIKeyBMXIPVWHVJASIA-UHFFFAOYSA-N
MW411.46 g/mol
LogP7.09
Rot. Bonds17

About N-propylhexadecan-1-amine;hydroiodide

N-propylhexadecan-1-amine;hydroiodide (PubChem CID 175532385) has the molecular formula C19H42IN and a molecular weight of 411.46 g/mol. Its IUPAC name is N-propylhexadecan-1-amine;hydroiodide.

Molecular Properties

Compound NameN-propylhexadecan-1-amine;hydroiodide
PubChem CID175532385
Molecular FormulaC19H42IN
Molecular Weight411.46 g/mol
Exact Mass411.24
IUPAC NameN-propylhexadecan-1-amine;hydroiodide
SMILESCCCCCCCCCCCCCCCCNCCC.I
InChIInChI=1S/C19H41N.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2;/h20H,3-19H2,1-2H3;1H
InChIKeyBMXIPVWHVJASIA-UHFFFAOYSA-N
XLogP7.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-propylhexadecan-1-amine;hydroiodide 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-propylhexadecan-1-amine
CID 18792182
N-propyloctadecan-1-amine;hydrofluoride
CID 88723062
N-propyldodecan-1-amine;hydrate
CID 175137397
azane;N-propyltetradecan-1-amine
CID 18792183
azane;N-hexyldecan-1-amine;dihydroiodide
CID 173206397
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-docosyldocosan-1-amine;hydrochloride
CID 173181498

Frequently Asked Questions

What is the IUPAC name of N-propylhexadecan-1-amine;hydroiodide?
The IUPAC name of N-propylhexadecan-1-amine;hydroiodide (CID 175532385) is N-propylhexadecan-1-amine;hydroiodide.
What is the SMILES notation for N-propylhexadecan-1-amine;hydroiodide?
The canonical SMILES for N-propylhexadecan-1-amine;hydroiodide is CCCCCCCCCCCCCCCCNCCC.I.
What is the InChIKey of N-propylhexadecan-1-amine;hydroiodide?
The InChIKey is BMXIPVWHVJASIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2;/h20H,3-19H2,1-2H3;1H.
What are the key properties of N-propylhexadecan-1-amine;hydroiodide?
N-propylhexadecan-1-amine;hydroiodide has a molecular weight of 411.46 g/mol, XLogP of 7.09, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylhexadecan-1-amine;hydroiodide is sourced from PubChem (CID 175532385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).