2-prop-2-enylcyclohexan-1-imine

C9H15N — CID 123898595

IUPAC2-prop-2-enylcyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1CC=C
InChIInChI=1S/C9H15N/c1-2-5-8-6-3-4-7-9(8)10/h2,8,10H,1,3-7H2/b10-9+
InChIKeyYLKDGJBDRLBZPW-MDZDMXLPSA-N
MW137.23 g/mol
LogP2.77
Rot. Bonds2

About 2-prop-2-enylcyclohexan-1-imine

2-prop-2-enylcyclohexan-1-imine (PubChem CID 123898595) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-prop-2-enylcyclohexan-1-imine.

Molecular Properties

Compound Name2-prop-2-enylcyclohexan-1-imine
PubChem CID123898595
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-prop-2-enylcyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1CC=C
InChIInChI=1S/C9H15N/c1-2-5-8-6-3-4-7-9(8)10/h2,8,10H,1,3-7H2/b10-9+
InChIKeyYLKDGJBDRLBZPW-MDZDMXLPSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-2-allylcyclohexanone oxime
CID 12255463
(NZ)-N-(2-prop-2-enylcyclohexylidene)hydroxylamine
CID 20494546
N-[2-(Prop-2-en-1-yl)cyclohexylidene]hydroxylamine
CID 71339806
1-Cyclohexyl-imino-2-butene
CID 129765474
N-(4-prop-2-enylcyclohexylidene)hydroxylamine
CID 88028442
4-[(Z)-but-2-enyl]cyclohexan-1-imine
CID 89040034
5-(2-Ethenylcyclopropyl)pent-1-en-3-imine
CID 90754586
4-(4-Ethenylcyclohexyl)cyclohexan-1-imine
CID 90894496
1-[2-[(4-Methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine
CID 90959682
1-Cyclohex-3-en-1-ylpropan-1-imine
CID 91368930
4-Methylhept-6-en-3-imine
CID 123204332
4-Methylhept-6-en-2-imine
CID 123395995

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylcyclohexan-1-imine?
The IUPAC name of 2-prop-2-enylcyclohexan-1-imine (CID 123898595) is 2-prop-2-enylcyclohexan-1-imine.
What is the SMILES notation for 2-prop-2-enylcyclohexan-1-imine?
The canonical SMILES for 2-prop-2-enylcyclohexan-1-imine is [H]/N=C1\CCCCC1CC=C.
What is the InChIKey of 2-prop-2-enylcyclohexan-1-imine?
The InChIKey is YLKDGJBDRLBZPW-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N/c1-2-5-8-6-3-4-7-9(8)10/h2,8,10H,1,3-7H2/b10-9+.
What are the key properties of 2-prop-2-enylcyclohexan-1-imine?
2-prop-2-enylcyclohexan-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylcyclohexan-1-imine is sourced from PubChem (CID 123898595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).