4-chloro-N-(2-ethoxyethyl)pentan-1-amine

C9H20ClNO — CID 106121607

IUPAC4-chloro-N-(2-ethoxyethyl)pentan-1-amine
SMILESCCOCCNCCCC(C)Cl
InChIInChI=1S/C9H20ClNO/c1-3-12-8-7-11-6-4-5-9(2)10/h9,11H,3-8H2,1-2H3
InChIKeyWGUZWATZEYJXKD-UHFFFAOYSA-N
MW193.72 g/mol
LogP2.02
Rot. Bonds8

About 4-chloro-N-(2-ethoxyethyl)pentan-1-amine

4-chloro-N-(2-ethoxyethyl)pentan-1-amine (PubChem CID 106121607) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxyethyl)pentan-1-amine
PubChem CID106121607
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name4-chloro-N-(2-ethoxyethyl)pentan-1-amine
SMILESCCOCCNCCCC(C)Cl
InChIInChI=1S/C9H20ClNO/c1-3-12-8-7-11-6-4-5-9(2)10/h9,11H,3-8H2,1-2H3
InChIKeyWGUZWATZEYJXKD-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106121614
5-chloro-1-ethoxyhexane
CID 64515389
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N-(4-chloropentyl)nonan-1-amine
CID 106121562
4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 106121638
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
4-bromo-N-(2-ethoxyethyl)butan-1-amine
CID 106844762
4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine
CID 106121689
4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine
CID 55088632
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
N-butyl-3-chlorobutan-1-amine
CID 65025010
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxyethyl)pentan-1-amine?
The IUPAC name of 4-chloro-N-(2-ethoxyethyl)pentan-1-amine (CID 106121607) is 4-chloro-N-(2-ethoxyethyl)pentan-1-amine.
What is the SMILES notation for 4-chloro-N-(2-ethoxyethyl)pentan-1-amine?
The canonical SMILES for 4-chloro-N-(2-ethoxyethyl)pentan-1-amine is CCOCCNCCCC(C)Cl.
What is the InChIKey of 4-chloro-N-(2-ethoxyethyl)pentan-1-amine?
The InChIKey is WGUZWATZEYJXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO/c1-3-12-8-7-11-6-4-5-9(2)10/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-chloro-N-(2-ethoxyethyl)pentan-1-amine?
4-chloro-N-(2-ethoxyethyl)pentan-1-amine has a molecular weight of 193.72 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethoxyethyl)pentan-1-amine is sourced from PubChem (CID 106121607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).