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2-chloro-N-methylcyclohexa-1,3-dien-1-amine

C7H10ClN — CID 167200006

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-chloro-N-methylcyclohexa-1,3-dien-1-amine
SMILESCNC1=C(Cl)C=CCC1
InChIInChI=1S/C7H10ClN/c1-9-7-5-3-2-4-6(7)8/h2,4,9H,3,5H2,1H3
InChIKeyYYVMVVMLXWFAPZ-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.01
Rot. Bonds1

About 2-chloro-N-methylcyclohexa-1,3-dien-1-amine

2-chloro-N-methylcyclohexa-1,3-dien-1-amine (PubChem CID 167200006) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 2-chloro-N-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-chloro-N-methylcyclohexa-1,3-dien-1-amine
PubChem CID167200006
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name2-chloro-N-methylcyclohexa-1,3-dien-1-amine
SMILESCNC1=C(Cl)C=CCC1
InChIInChI=1S/C7H10ClN/c1-9-7-5-3-2-4-6(7)8/h2,4,9H,3,5H2,1H3
InChIKeyYYVMVVMLXWFAPZ-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-chloro-N-methylcyclohexa-1,3-dien-1-amine (CID 167200006) is 2-chloro-N-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-chloro-N-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-chloro-N-methylcyclohexa-1,3-dien-1-amine is CNC1=C(Cl)C=CCC1.
What is the InChIKey of 2-chloro-N-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is YYVMVVMLXWFAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-9-7-5-3-2-4-6(7)8/h2,4,9H,3,5H2,1H3.
What are the key properties of 2-chloro-N-methylcyclohexa-1,3-dien-1-amine?
2-chloro-N-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 143.62 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 167200006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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