CID 158863549

C15H33NNa — CID 158863549

IUPAC—
SMILESCCCCCCCCCCCCCCCN.[Na]
InChIInChI=1S/C15H33N.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;/h2-16H2,1H3;
InChIKeyJAYDYGYGBYCACD-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.66
Rot. Bonds13

About CID 158863549

CID 158863549 (PubChem CID 158863549) has the molecular formula C15H33NNa and a molecular weight of 250.43 g/mol.

Molecular Properties

Compound NameCID 158863549
PubChem CID158863549
Molecular FormulaC15H33NNa
Molecular Weight250.43 g/mol
Exact Mass250.25
IUPAC Name—
SMILESCCCCCCCCCCCCCCCN.[Na]
InChIInChI=1S/C15H33N.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;/h2-16H2,1H3;
InChIKeyJAYDYGYGBYCACD-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 158863549 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

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;titanium
CID 174493472
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of CID 158863549?
The IUPAC name of CID 158863549 (CID 158863549) is not available.
What is the SMILES notation for CID 158863549?
The canonical SMILES for CID 158863549 is CCCCCCCCCCCCCCCN.[Na].
What is the InChIKey of CID 158863549?
The InChIKey is JAYDYGYGBYCACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;/h2-16H2,1H3;.
What are the key properties of CID 158863549?
CID 158863549 has a molecular weight of 250.43 g/mol, XLogP of 4.66, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158863549 is sourced from PubChem (CID 158863549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).