3-aminohexanoyl chloride;hydrochloride

C6H13Cl2NO — CID 174572302

IUPAC3-aminohexanoyl chloride;hydrochloride
SMILESCCCC(N)CC(=O)Cl.Cl
InChIInChI=1S/C6H12ClNO.ClH/c1-2-3-5(8)4-6(7)9;/h5H,2-4,8H2,1H3;1H
InChIKeyYULVSXKAJUPOGC-UHFFFAOYSA-N
MW186.08 g/mol
LogP1.69
Rot. Bonds4

About 3-aminohexanoyl chloride;hydrochloride

3-aminohexanoyl chloride;hydrochloride (PubChem CID 174572302) has the molecular formula C6H13Cl2NO and a molecular weight of 186.08 g/mol. Its IUPAC name is 3-aminohexanoyl chloride;hydrochloride.

Molecular Properties

Compound Name3-aminohexanoyl chloride;hydrochloride
PubChem CID174572302
Molecular FormulaC6H13Cl2NO
Molecular Weight186.08 g/mol
Exact Mass185.04
IUPAC Name3-aminohexanoyl chloride;hydrochloride
SMILESCCCC(N)CC(=O)Cl.Cl
InChIInChI=1S/C6H12ClNO.ClH/c1-2-3-5(8)4-6(7)9;/h5H,2-4,8H2,1H3;1H
InChIKeyYULVSXKAJUPOGC-UHFFFAOYSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-aminooctan-3-one
CID 116607745
6-aminononan-4-one
CID 116607782
3-methoxyhexanoyl chloride
CID 123861555
4-amino-1-methoxyheptan-2-one
CID 116607814
3-(chloromethyl)hexanoyl chloride
CID 174921831
4-aminotridecan-6-one
CID 116607784
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one
CID 103355889
3-amino-1-cyclopentylhexan-1-one
CID 116607728
azane;heptan-4-amine
CID 118430725
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide
CID 114170265
3-amino-1-cyclohexylhexan-1-one
CID 116607761
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
CID 161031770

Frequently Asked Questions

What is the IUPAC name of 3-aminohexanoyl chloride;hydrochloride?
The IUPAC name of 3-aminohexanoyl chloride;hydrochloride (CID 174572302) is 3-aminohexanoyl chloride;hydrochloride.
What is the SMILES notation for 3-aminohexanoyl chloride;hydrochloride?
The canonical SMILES for 3-aminohexanoyl chloride;hydrochloride is CCCC(N)CC(=O)Cl.Cl.
What is the InChIKey of 3-aminohexanoyl chloride;hydrochloride?
The InChIKey is YULVSXKAJUPOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO.ClH/c1-2-3-5(8)4-6(7)9;/h5H,2-4,8H2,1H3;1H.
What are the key properties of 3-aminohexanoyl chloride;hydrochloride?
3-aminohexanoyl chloride;hydrochloride has a molecular weight of 186.08 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminohexanoyl chloride;hydrochloride is sourced from PubChem (CID 174572302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).