N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride

C10H18Cl2N2O2 — CID 14423477

IUPACN-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride
SMILESCN(CCCCCCN(C)C(=O)Cl)C(=O)Cl
InChIInChI=1S/C10H18Cl2N2O2/c1-13(9(11)15)7-5-3-4-6-8-14(2)10(12)16/h3-8H2,1-2H3
InChIKeyVKMVQHFENMMYDS-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.13
Rot. Bonds7

About N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride

N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride (PubChem CID 14423477) has the molecular formula C10H18Cl2N2O2 and a molecular weight of 269.17 g/mol. Its IUPAC name is N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride
PubChem CID14423477
Molecular FormulaC10H18Cl2N2O2
Molecular Weight269.17 g/mol
Exact Mass268.07
IUPAC NameN-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride
SMILESCN(CCCCCCN(C)C(=O)Cl)C(=O)Cl
InChIInChI=1S/C10H18Cl2N2O2/c1-13(9(11)15)7-5-3-4-6-8-14(2)10(12)16/h3-8H2,1-2H3
InChIKeyVKMVQHFENMMYDS-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl(octyl)carbamic chloride
CID 15209944
N-heptyl-N-methylcarbamoyl chloride
CID 21736985
N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride
CID 134990628
Methyl(nonyl)carbamyl chloride
CID 15209945
N-decyl-N-methylcarbamoyl chloride
CID 15209946
Dihexylcarbamyl chloride
CID 15644922
Dipentylcarbamyl chloride
CID 22106956
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
N-hexyl-N-(4-isocyanatobutyl)carbamoyl chloride
CID 53761623
N-butyl-N-(6-isocyanatohexyl)carbamoyl chloride
CID 53875723
N-ethyl-N-heptylcarbamoyl chloride
CID 54088699
N-n-pentyl-N-propylcarbamoyl chloride
CID 54493124

Frequently Asked Questions

What is the IUPAC name of N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride?
The IUPAC name of N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride (CID 14423477) is N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride.
What is the SMILES notation for N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride?
The canonical SMILES for N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride is CN(CCCCCCN(C)C(=O)Cl)C(=O)Cl.
What is the InChIKey of N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride?
The InChIKey is VKMVQHFENMMYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2N2O2/c1-13(9(11)15)7-5-3-4-6-8-14(2)10(12)16/h3-8H2,1-2H3.
What are the key properties of N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride?
N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride has a molecular weight of 269.17 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride is sourced from PubChem (CID 14423477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).