6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine

C14H30ClNO — CID 55053288

IUPAC6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine
SMILESCCC(CC)N(CCCCCCCl)CCOC
InChIInChI=1S/C14H30ClNO/c1-4-14(5-2)16(12-13-17-3)11-9-7-6-8-10-15/h14H,4-13H2,1-3H3
InChIKeyNVIWOWGQZCFSGH-UHFFFAOYSA-N
MW263.85 g/mol
LogP3.92
Rot. Bonds12

About 6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine

6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine (PubChem CID 55053288) has the molecular formula C14H30ClNO and a molecular weight of 263.85 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine
PubChem CID55053288
Molecular FormulaC14H30ClNO
Molecular Weight263.85 g/mol
Exact Mass263.20
IUPAC Name6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine
SMILESCCC(CC)N(CCCCCCCl)CCOC
InChIInChI=1S/C14H30ClNO/c1-4-14(5-2)16(12-13-17-3)11-9-7-6-8-10-15/h14H,4-13H2,1-3H3
InChIKeyNVIWOWGQZCFSGH-UHFFFAOYSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.85
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine (CID 55053288) is 6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine is CCC(CC)N(CCCCCCCl)CCOC.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine?
The InChIKey is NVIWOWGQZCFSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30ClNO/c1-4-14(5-2)16(12-13-17-3)11-9-7-6-8-10-15/h14H,4-13H2,1-3H3.
What are the key properties of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine?
6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine has a molecular weight of 263.85 g/mol, XLogP of 3.92, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine is sourced from PubChem (CID 55053288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).