4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride

C10H22Cl3NO — CID 3027779

IUPAC4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride
SMILESCCOCCN(CCCl)CCCCCl.Cl
InChIInChI=1S/C10H21Cl2NO.ClH/c1-2-14-10-9-13(8-6-12)7-4-3-5-11;/h2-10H2,1H3;1H
InChIKeyUZLQIJZRWVYSCZ-UHFFFAOYSA-N
MW278.65 g/mol
LogP3.00
Rot. Bonds10

About 4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride

4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride (PubChem CID 3027779) has the molecular formula C10H22Cl3NO and a molecular weight of 278.65 g/mol. Its IUPAC name is 4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride
PubChem CID3027779
Molecular FormulaC10H22Cl3NO
Molecular Weight278.65 g/mol
Exact Mass277.08
IUPAC Name4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride
SMILESCCOCCN(CCCl)CCCCCl.Cl
InChIInChI=1S/C10H21Cl2NO.ClH/c1-2-14-10-9-13(8-6-12)7-4-3-5-11;/h2-10H2,1H3;1H
InChIKeyUZLQIJZRWVYSCZ-UHFFFAOYSA-N
XLogP3.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.65
LogP ≤ 53.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride?
The IUPAC name of 4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride (CID 3027779) is 4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride.
What is the SMILES notation for 4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride?
The canonical SMILES for 4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride is CCOCCN(CCCl)CCCCCl.Cl.
What is the InChIKey of 4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride?
The InChIKey is UZLQIJZRWVYSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Cl2NO.ClH/c1-2-14-10-9-13(8-6-12)7-4-3-5-11;/h2-10H2,1H3;1H.
What are the key properties of 4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride?
4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride has a molecular weight of 278.65 g/mol, XLogP of 3.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 3027779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).