N-chloro-N-methylhenicosan-11-amine

C22H46ClN — CID 141096758

IUPACN-chloro-N-methylhenicosan-11-amine
SMILESCCCCCCCCCCC(CCCCCCCCCC)N(C)Cl
InChIInChI=1S/C22H46ClN/c1-4-6-8-10-12-14-16-18-20-22(24(3)23)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3
InChIKeyNWMFIYAMGSYDMF-UHFFFAOYSA-N
MW360.07 g/mol
LogP8.50
Rot. Bonds19

About N-chloro-N-methylhenicosan-11-amine

N-chloro-N-methylhenicosan-11-amine (PubChem CID 141096758) has the molecular formula C22H46ClN and a molecular weight of 360.07 g/mol. Its IUPAC name is N-chloro-N-methylhenicosan-11-amine.

Molecular Properties

Compound NameN-chloro-N-methylhenicosan-11-amine
PubChem CID141096758
Molecular FormulaC22H46ClN
Molecular Weight360.07 g/mol
Exact Mass359.33
IUPAC NameN-chloro-N-methylhenicosan-11-amine
SMILESCCCCCCCCCCC(CCCCCCCCCC)N(C)Cl
InChIInChI=1S/C22H46ClN/c1-4-6-8-10-12-14-16-18-20-22(24(3)23)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3
InChIKeyNWMFIYAMGSYDMF-UHFFFAOYSA-N
XLogP8.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.07
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
13-(chloromethyl)pentacosane;N,N-dimethylmethanamine
CID 87988252
1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide
CID 173305145
N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide
CID 88536227
N-methyl-N-octadecan-3-ylhydroxylamine
CID 90035792
N-icosan-3-yl-N-methylhydroxylamine
CID 90035828
1-chloro-N,N-dimethylpentadecan-1-amine
CID 165176511
N-methyl-N-pentadecan-6-ylformamide
CID 89274387

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-methylhenicosan-11-amine?
The IUPAC name of N-chloro-N-methylhenicosan-11-amine (CID 141096758) is N-chloro-N-methylhenicosan-11-amine.
What is the SMILES notation for N-chloro-N-methylhenicosan-11-amine?
The canonical SMILES for N-chloro-N-methylhenicosan-11-amine is CCCCCCCCCCC(CCCCCCCCCC)N(C)Cl.
What is the InChIKey of N-chloro-N-methylhenicosan-11-amine?
The InChIKey is NWMFIYAMGSYDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46ClN/c1-4-6-8-10-12-14-16-18-20-22(24(3)23)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3.
What are the key properties of N-chloro-N-methylhenicosan-11-amine?
N-chloro-N-methylhenicosan-11-amine has a molecular weight of 360.07 g/mol, XLogP of 8.50, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-methylhenicosan-11-amine is sourced from PubChem (CID 141096758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).