3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine

C10H15N — CID 123367735

IUPAC3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=CC1=CCCC(C)C1
InChIInChI=1S/C10H15N/c1-9-4-2-5-10(8-9)6-3-7-11/h3,5-7,9,11H,2,4,8H2,1H3/b6-3?,11-7+
InChIKeyHJOKKMGFXUFWKD-MJTQWOBDSA-N
MW149.24 g/mol
LogP2.94
Rot. Bonds2

About 3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine

3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine (PubChem CID 123367735) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine
PubChem CID123367735
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=CC1=CCCC(C)C1
InChIInChI=1S/C10H15N/c1-9-4-2-5-10(8-9)6-3-7-11/h3,5-7,9,11H,2,4,8H2,1H3/b6-3?,11-7+
InChIKeyHJOKKMGFXUFWKD-MJTQWOBDSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine?
The IUPAC name of 3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine (CID 123367735) is 3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine.
What is the SMILES notation for 3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine?
The canonical SMILES for 3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine is [H]/N=C/C=CC1=CCCC(C)C1.
What is the InChIKey of 3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine?
The InChIKey is HJOKKMGFXUFWKD-MJTQWOBDSA-N. The full InChI is InChI=1S/C10H15N/c1-9-4-2-5-10(8-9)6-3-7-11/h3,5-7,9,11H,2,4,8H2,1H3/b6-3?,11-7+.
What are the key properties of 3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine?
3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylcyclohexen-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 123367735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).