4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine

C15H32ClNO2 — CID 145201908

IUPAC4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine
SMILESCCCCCCCOCCOCC(Cl)CC(C)NC
InChIInChI=1S/C15H32ClNO2/c1-4-5-6-7-8-9-18-10-11-19-13-15(16)12-14(2)17-3/h14-15,17H,4-13H2,1-3H3
InChIKeySLSIOEXMSSKNLT-UHFFFAOYSA-N
MW293.88 g/mol
LogP3.60
Rot. Bonds14

About 4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine

4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine (PubChem CID 145201908) has the molecular formula C15H32ClNO2 and a molecular weight of 293.88 g/mol. Its IUPAC name is 4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine
PubChem CID145201908
Molecular FormulaC15H32ClNO2
Molecular Weight293.88 g/mol
Exact Mass293.21
IUPAC Name4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine
SMILESCCCCCCCOCCOCC(Cl)CC(C)NC
InChIInChI=1S/C15H32ClNO2/c1-4-5-6-7-8-9-18-10-11-19-13-15(16)12-14(2)17-3/h14-15,17H,4-13H2,1-3H3
InChIKeySLSIOEXMSSKNLT-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.88
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-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

1-(2,3-dichloropropoxy)hexane
CID 14269129
2-chloro-3-octadecoxypropan-1-ol
CID 71347579
(3R)-4-hexoxy-1-N,1-N',3-trimethylbutane-1,1-diamine
CID 118465726
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
CID 159860963
CID 159860963
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-decoxyethoxy)decane
CID 14009354

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine?
The IUPAC name of 4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine (CID 145201908) is 4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine.
What is the SMILES notation for 4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine?
The canonical SMILES for 4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine is CCCCCCCOCCOCC(Cl)CC(C)NC.
What is the InChIKey of 4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine?
The InChIKey is SLSIOEXMSSKNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32ClNO2/c1-4-5-6-7-8-9-18-10-11-19-13-15(16)12-14(2)17-3/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine?
4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine has a molecular weight of 293.88 g/mol, XLogP of 3.60, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine is sourced from PubChem (CID 145201908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).