3,5,5-trimethylcyclohex-2-en-1-imine

C9H15N — CID 12562470

IUPAC3,5,5-trimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=C(C)CC(C)(C)C1
InChIInChI=1S/C9H15N/c1-7-4-8(10)6-9(2,3)5-7/h4,10H,5-6H2,1-3H3/b10-8+
InChIKeyFZBHBMHNTDJYLD-CSKARUKUSA-N
MW137.23 g/mol
LogP2.77
Rot. Bonds

About 3,5,5-trimethylcyclohex-2-en-1-imine

3,5,5-trimethylcyclohex-2-en-1-imine (PubChem CID 12562470) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,5,5-trimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3,5,5-trimethylcyclohex-2-en-1-imine
PubChem CID12562470
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,5,5-trimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=C(C)CC(C)(C)C1
InChIInChI=1S/C9H15N/c1-7-4-8(10)6-9(2,3)5-7/h4,10H,5-6H2,1-3H3/b10-8+
InChIKeyFZBHBMHNTDJYLD-CSKARUKUSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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'}

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Related Compounds

(NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine
CID 6508017
(NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine
CID 226065
(1Z)-3,5,5-trimethyl-2-cyclohexen-1-one oxime
CID 5354652
1,2-Bis(3,5,5-trimethyl-2-cyclohexenylidene)hydrazine
CID 6386641
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
N,3,5,5-tetramethylcyclohex-2-en-1-imine
CID 70518167
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
(Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine
CID 6174049
3,5,5-trimethyl-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine
CID 240328
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242
3-Imino-5,5-dimethylcyclohexene-1-carbonitrile
CID 22672911

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethylcyclohex-2-en-1-imine?
The IUPAC name of 3,5,5-trimethylcyclohex-2-en-1-imine (CID 12562470) is 3,5,5-trimethylcyclohex-2-en-1-imine.
What is the SMILES notation for 3,5,5-trimethylcyclohex-2-en-1-imine?
The canonical SMILES for 3,5,5-trimethylcyclohex-2-en-1-imine is [H]/N=C1\C=C(C)CC(C)(C)C1.
What is the InChIKey of 3,5,5-trimethylcyclohex-2-en-1-imine?
The InChIKey is FZBHBMHNTDJYLD-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15N/c1-7-4-8(10)6-9(2,3)5-7/h4,10H,5-6H2,1-3H3/b10-8+.
What are the key properties of 3,5,5-trimethylcyclohex-2-en-1-imine?
3,5,5-trimethylcyclohex-2-en-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 12562470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).