2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine

C6H11ClN2 — CID 72607322

IUPAC2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(Cl)=CN(C)C
InChIInChI=1S/C6H11ClN2/c1-8-4-6(7)5-9(2)3/h4-5H,1-3H3/b6-5?,8-4+
InChIKeyOEFZARRGNNRGPJ-KEFBPMMISA-N
MW146.62 g/mol
LogP1.33
Rot. Bonds2

About 2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine

2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine (PubChem CID 72607322) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
PubChem CID72607322
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(Cl)=CN(C)C
InChIInChI=1S/C6H11ClN2/c1-8-4-6(7)5-9(2)3/h4-5H,1-3H3/b6-5?,8-4+
InChIKeyOEFZARRGNNRGPJ-KEFBPMMISA-N
XLogP1.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine (CID 72607322) is 2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine is C/N=C/C(Cl)=CN(C)C.
What is the InChIKey of 2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine?
The InChIKey is OEFZARRGNNRGPJ-KEFBPMMISA-N. The full InChI is InChI=1S/C6H11ClN2/c1-8-4-6(7)5-9(2)3/h4-5H,1-3H3/b6-5?,8-4+.
What are the key properties of 2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine?
2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine has a molecular weight of 146.62 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 72607322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).