4-chloro-N,N,4-triethylhexan-1-amine

C12H26ClN — CID 175353632

IUPAC4-chloro-N,N,4-triethylhexan-1-amine
SMILESCCN(CC)CCCC(Cl)(CC)CC
InChIInChI=1S/C12H26ClN/c1-5-12(13,6-2)10-9-11-14(7-3)8-4/h5-11H2,1-4H3
InChIKeyNWLWJDJHXNKRRF-UHFFFAOYSA-N
MW219.80 g/mol
LogP3.91
Rot. Bonds8

About 4-chloro-N,N,4-triethylhexan-1-amine

4-chloro-N,N,4-triethylhexan-1-amine (PubChem CID 175353632) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is 4-chloro-N,N,4-triethylhexan-1-amine.

Molecular Properties

Compound Name4-chloro-N,N,4-triethylhexan-1-amine
PubChem CID175353632
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC Name4-chloro-N,N,4-triethylhexan-1-amine
SMILESCCN(CC)CCCC(Cl)(CC)CC
InChIInChI=1S/C12H26ClN/c1-5-12(13,6-2)10-9-11-14(7-3)8-4/h5-11H2,1-4H3
InChIKeyNWLWJDJHXNKRRF-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N,4-triethylhexan-1-amine?
The IUPAC name of 4-chloro-N,N,4-triethylhexan-1-amine (CID 175353632) is 4-chloro-N,N,4-triethylhexan-1-amine.
What is the SMILES notation for 4-chloro-N,N,4-triethylhexan-1-amine?
The canonical SMILES for 4-chloro-N,N,4-triethylhexan-1-amine is CCN(CC)CCCC(Cl)(CC)CC.
What is the InChIKey of 4-chloro-N,N,4-triethylhexan-1-amine?
The InChIKey is NWLWJDJHXNKRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClN/c1-5-12(13,6-2)10-9-11-14(7-3)8-4/h5-11H2,1-4H3.
What are the key properties of 4-chloro-N,N,4-triethylhexan-1-amine?
4-chloro-N,N,4-triethylhexan-1-amine has a molecular weight of 219.80 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N,4-triethylhexan-1-amine is sourced from PubChem (CID 175353632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).