hexadecan-1-amine;hydroiodide

C16H36IN — CID 173125534

IUPAChexadecan-1-amine;hydroiodide
SMILESCCCCCCCCCCCCCCCCN.I
InChIInChI=1S/C16H35N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h2-17H2,1H3;1H
InChIKeyVVJDJWDRCWLWDI-UHFFFAOYSA-N
MW369.38 g/mol
LogP6.04
Rot. Bonds14

About hexadecan-1-amine;hydroiodide

hexadecan-1-amine;hydroiodide (PubChem CID 173125534) has the molecular formula C16H36IN and a molecular weight of 369.38 g/mol. Its IUPAC name is hexadecan-1-amine;hydroiodide.

Molecular Properties

Compound Namehexadecan-1-amine;hydroiodide
PubChem CID173125534
Molecular FormulaC16H36IN
Molecular Weight369.38 g/mol
Exact Mass369.19
IUPAC Namehexadecan-1-amine;hydroiodide
SMILESCCCCCCCCCCCCCCCCN.I
InChIInChI=1S/C16H35N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h2-17H2,1H3;1H
InChIKeyVVJDJWDRCWLWDI-UHFFFAOYSA-N
XLogP6.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 56.04
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'}

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Related Compounds

decan-1-amine;tetrakis(hexane);hydroiodide
CID 173346664
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026

Frequently Asked Questions

What is the IUPAC name of hexadecan-1-amine;hydroiodide?
The IUPAC name of hexadecan-1-amine;hydroiodide (CID 173125534) is hexadecan-1-amine;hydroiodide.
What is the SMILES notation for hexadecan-1-amine;hydroiodide?
The canonical SMILES for hexadecan-1-amine;hydroiodide is CCCCCCCCCCCCCCCCN.I.
What is the InChIKey of hexadecan-1-amine;hydroiodide?
The InChIKey is VVJDJWDRCWLWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h2-17H2,1H3;1H.
What are the key properties of hexadecan-1-amine;hydroiodide?
hexadecan-1-amine;hydroiodide has a molecular weight of 369.38 g/mol, XLogP of 6.04, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-1-amine;hydroiodide is sourced from PubChem (CID 173125534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).