1-chlorodocosan-1-amine

C22H46ClN — CID 174773966

IUPAC1-chlorodocosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCC(N)Cl
InChIInChI=1S/C22H46ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h22H,2-21,24H2,1H3
InChIKeyLFLUBJQFBBXWTO-UHFFFAOYSA-N
MW360.07 g/mol
LogP8.33
Rot. Bonds20

About 1-chlorodocosan-1-amine

1-chlorodocosan-1-amine (PubChem CID 174773966) has the molecular formula C22H46ClN and a molecular weight of 360.07 g/mol. Its IUPAC name is 1-chlorodocosan-1-amine.

Molecular Properties

Compound Name1-chlorodocosan-1-amine
PubChem CID174773966
Molecular FormulaC22H46ClN
Molecular Weight360.07 g/mol
Exact Mass359.33
IUPAC Name1-chlorodocosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCC(N)Cl
InChIInChI=1S/C22H46ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h22H,2-21,24H2,1H3
InChIKeyLFLUBJQFBBXWTO-UHFFFAOYSA-N
XLogP8.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.07
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
17-chlorotritriacontane
CID 87852962
henicosane-8,14-diamine;dihydrochloride
CID 170909168
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
hexacosane-1,1-diamine
CID 137375175
hexatriacontane-1,1-diamine
CID 21495844
1,1-dichloroheptane
CID 13184
octadecan-9-amine;hydrochloride
CID 19002510
(2S)-tetradecan-2-amine
CID 25021238

Frequently Asked Questions

What is the IUPAC name of 1-chlorodocosan-1-amine?
The IUPAC name of 1-chlorodocosan-1-amine (CID 174773966) is 1-chlorodocosan-1-amine.
What is the SMILES notation for 1-chlorodocosan-1-amine?
The canonical SMILES for 1-chlorodocosan-1-amine is CCCCCCCCCCCCCCCCCCCCCC(N)Cl.
What is the InChIKey of 1-chlorodocosan-1-amine?
The InChIKey is LFLUBJQFBBXWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h22H,2-21,24H2,1H3.
What are the key properties of 1-chlorodocosan-1-amine?
1-chlorodocosan-1-amine has a molecular weight of 360.07 g/mol, XLogP of 8.33, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorodocosan-1-amine is sourced from PubChem (CID 174773966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).