(4-methylidenecyclohex-2-en-1-yl)methanamine

C8H12N+ — CID 91001190

IUPAC(4-methylidenecyclohex-2-en-1-yl)methanamine
SMILESC=C1C=CC(CN)C[CH+]1
InChIInChI=1S/C8H12N/c1-7-2-4-8(6-9)5-3-7/h2-4,8H,1,5-6,9H2/q+1
InChIKeyHTHCKCFNOXDRAA-UHFFFAOYSA-N
MW122.19 g/mol
LogP1.28
Rot. Bonds1

About (4-methylidenecyclohex-2-en-1-yl)methanamine

(4-methylidenecyclohex-2-en-1-yl)methanamine (PubChem CID 91001190) has the molecular formula C8H12N+ and a molecular weight of 122.19 g/mol. Its IUPAC name is (4-methylidenecyclohex-2-en-1-yl)methanamine.

Molecular Properties

Compound Name(4-methylidenecyclohex-2-en-1-yl)methanamine
PubChem CID91001190
Molecular FormulaC8H12N+
Molecular Weight122.19 g/mol
Exact Mass122.10
IUPAC Name(4-methylidenecyclohex-2-en-1-yl)methanamine
SMILESC=C1C=CC(CN)C[CH+]1
InChIInChI=1S/C8H12N/c1-7-2-4-8(6-9)5-3-7/h2-4,8H,1,5-6,9H2/q+1
InChIKeyHTHCKCFNOXDRAA-UHFFFAOYSA-N
XLogP1.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylidenecyclohex-2-en-1-yl)methanamine?
The IUPAC name of (4-methylidenecyclohex-2-en-1-yl)methanamine (CID 91001190) is (4-methylidenecyclohex-2-en-1-yl)methanamine.
What is the SMILES notation for (4-methylidenecyclohex-2-en-1-yl)methanamine?
The canonical SMILES for (4-methylidenecyclohex-2-en-1-yl)methanamine is C=C1C=CC(CN)C[CH+]1.
What is the InChIKey of (4-methylidenecyclohex-2-en-1-yl)methanamine?
The InChIKey is HTHCKCFNOXDRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N/c1-7-2-4-8(6-9)5-3-7/h2-4,8H,1,5-6,9H2/q+1.
What are the key properties of (4-methylidenecyclohex-2-en-1-yl)methanamine?
(4-methylidenecyclohex-2-en-1-yl)methanamine has a molecular weight of 122.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenecyclohex-2-en-1-yl)methanamine is sourced from PubChem (CID 91001190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).