6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine

C14H30ClN — CID 63447266

IUPAC6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine
SMILESCCC(CC)CN(CC)CCCCCCCl
InChIInChI=1S/C14H30ClN/c1-4-14(5-2)13-16(6-3)12-10-8-7-9-11-15/h14H,4-13H2,1-3H3
InChIKeyUPLZDSXZBZVUBO-UHFFFAOYSA-N
MW247.85 g/mol
LogP4.54
Rot. Bonds11

About 6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine

6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine (PubChem CID 63447266) has the molecular formula C14H30ClN and a molecular weight of 247.85 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine
PubChem CID63447266
Molecular FormulaC14H30ClN
Molecular Weight247.85 g/mol
Exact Mass247.21
IUPAC Name6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine
SMILESCCC(CC)CN(CC)CCCCCCCl
InChIInChI=1S/C14H30ClN/c1-4-14(5-2)13-16(6-3)12-10-8-7-9-11-15/h14H,4-13H2,1-3H3
InChIKeyUPLZDSXZBZVUBO-UHFFFAOYSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.85
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine?
The IUPAC name of 6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine (CID 63447266) is 6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine is CCC(CC)CN(CC)CCCCCCCl.
What is the InChIKey of 6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine?
The InChIKey is UPLZDSXZBZVUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30ClN/c1-4-14(5-2)13-16(6-3)12-10-8-7-9-11-15/h14H,4-13H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine?
6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine has a molecular weight of 247.85 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine is sourced from PubChem (CID 63447266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).