dichloromethane;tetradecan-1-amine

C15H33Cl2N — CID 174672290

IUPACdichloromethane;tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN.ClCCl
InChIInChI=1S/C14H31N.CH2Cl2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;2-1-3/h2-15H2,1H3;1H2
InChIKeyYPJIYJDUKNMCRL-UHFFFAOYSA-N
MW298.34 g/mol
LogP6.07
Rot. Bonds12

About dichloromethane;tetradecan-1-amine

dichloromethane;tetradecan-1-amine (PubChem CID 174672290) has the molecular formula C15H33Cl2N and a molecular weight of 298.34 g/mol. Its IUPAC name is dichloromethane;tetradecan-1-amine.

Molecular Properties

Compound Namedichloromethane;tetradecan-1-amine
PubChem CID174672290
Molecular FormulaC15H33Cl2N
Molecular Weight298.34 g/mol
Exact Mass297.20
IUPAC Namedichloromethane;tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN.ClCCl
InChIInChI=1S/C14H31N.CH2Cl2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;2-1-3/h2-15H2,1H3;1H2
InChIKeyYPJIYJDUKNMCRL-UHFFFAOYSA-N
XLogP6.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.34
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dichloromethane;tetradecan-1-amine 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
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
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 dichloromethane;tetradecan-1-amine?
The IUPAC name of dichloromethane;tetradecan-1-amine (CID 174672290) is dichloromethane;tetradecan-1-amine.
What is the SMILES notation for dichloromethane;tetradecan-1-amine?
The canonical SMILES for dichloromethane;tetradecan-1-amine is CCCCCCCCCCCCCCN.ClCCl.
What is the InChIKey of dichloromethane;tetradecan-1-amine?
The InChIKey is YPJIYJDUKNMCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.CH2Cl2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;2-1-3/h2-15H2,1H3;1H2.
What are the key properties of dichloromethane;tetradecan-1-amine?
dichloromethane;tetradecan-1-amine has a molecular weight of 298.34 g/mol, XLogP of 6.07, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;tetradecan-1-amine is sourced from PubChem (CID 174672290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).