2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol

C12H21NO — CID 162362152

IUPAC2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol
SMILESC=CC1=C(C=C)C(NC)CCC1.CO
InChIInChI=1S/C11H17N.CH4O/c1-4-9-7-6-8-11(12-3)10(9)5-2;1-2/h4-5,11-12H,1-2,6-8H2,3H3;2H,1H3
InChIKeyHUSIMCZKTFITBS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds3

About 2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol

2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol (PubChem CID 162362152) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol.

Molecular Properties

Compound Name2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol
PubChem CID162362152
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol
SMILESC=CC1=C(C=C)C(NC)CCC1.CO
InChIInChI=1S/C11H17N.CH4O/c1-4-9-7-6-8-11(12-3)10(9)5-2;1-2/h4-5,11-12H,1-2,6-8H2,3H3;2H,1H3
InChIKeyHUSIMCZKTFITBS-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol?
The IUPAC name of 2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol (CID 162362152) is 2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol.
What is the SMILES notation for 2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol?
The canonical SMILES for 2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol is C=CC1=C(C=C)C(NC)CCC1.CO.
What is the InChIKey of 2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol?
The InChIKey is HUSIMCZKTFITBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.CH4O/c1-4-9-7-6-8-11(12-3)10(9)5-2;1-2/h4-5,11-12H,1-2,6-8H2,3H3;2H,1H3.
What are the key properties of 2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol?
2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol has a molecular weight of 195.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol is sourced from PubChem (CID 162362152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).