4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine

C10H22ClNO2 — CID 57049321

IUPAC4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine
SMILESCOCCN(CCCCCl)CCOC
InChIInChI=1S/C10H22ClNO2/c1-13-9-7-12(8-10-14-2)6-4-3-5-11/h3-10H2,1-2H3
InChIKeyYVYPZHKFCAIJJI-UHFFFAOYSA-N
MW223.74 g/mol
LogP1.60
Rot. Bonds10

About 4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine

4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine (PubChem CID 57049321) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is 4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine
PubChem CID57049321
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Name4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine
SMILESCOCCN(CCCCCl)CCOC
InChIInChI=1S/C10H22ClNO2/c1-13-9-7-12(8-10-14-2)6-4-3-5-11/h3-10H2,1-2H3
InChIKeyYVYPZHKFCAIJJI-UHFFFAOYSA-N
XLogP1.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-bis(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine (CID 57049321) is 4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine is COCCN(CCCCCl)CCOC.
What is the InChIKey of 4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine?
The InChIKey is YVYPZHKFCAIJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2/c1-13-9-7-12(8-10-14-2)6-4-3-5-11/h3-10H2,1-2H3.
What are the key properties of 4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine?
4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine has a molecular weight of 223.74 g/mol, XLogP of 1.60, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 57049321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).