N,N-bis(2-methylpropyl)carbamoyl chloride

C9H18ClNO — CID 3016026

IUPACN,N-bis(2-methylpropyl)carbamoyl chloride
SMILESCC(C)CN(CC(C)C)C(=O)Cl
InChIInChI=1S/C9H18ClNO/c1-7(2)5-11(9(10)12)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyFPXIFEJHRVQGOJ-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.96
Rot. Bonds4

About N,N-bis(2-methylpropyl)carbamoyl chloride

N,N-bis(2-methylpropyl)carbamoyl chloride (PubChem CID 3016026) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)carbamoyl chloride.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)carbamoyl chloride
PubChem CID3016026
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC NameN,N-bis(2-methylpropyl)carbamoyl chloride
SMILESCC(C)CN(CC(C)C)C(=O)Cl
InChIInChI=1S/C9H18ClNO/c1-7(2)5-11(9(10)12)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyFPXIFEJHRVQGOJ-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)carbamoyl chloride?
The IUPAC name of N,N-bis(2-methylpropyl)carbamoyl chloride (CID 3016026) is N,N-bis(2-methylpropyl)carbamoyl chloride.
What is the SMILES notation for N,N-bis(2-methylpropyl)carbamoyl chloride?
The canonical SMILES for N,N-bis(2-methylpropyl)carbamoyl chloride is CC(C)CN(CC(C)C)C(=O)Cl.
What is the InChIKey of N,N-bis(2-methylpropyl)carbamoyl chloride?
The InChIKey is FPXIFEJHRVQGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-7(2)5-11(9(10)12)6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)carbamoyl chloride?
N,N-bis(2-methylpropyl)carbamoyl chloride has a molecular weight of 191.70 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)carbamoyl chloride is sourced from PubChem (CID 3016026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).