molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine

C12H21N — CID 144583788

IUPACmolecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine
SMILES[H]/N=C/C(C)=C1\C=C(C)CC(C)(C)C1.[H][H]
InChIInChI=1S/C12H19N.H2/c1-9-5-11(10(2)8-13)7-12(3,4)6-9;/h5,8,13H,6-7H2,1-4H3;1H/b11-10+,13-8+;
InChIKeyYWHFFRVSZWUDLU-UIUDXVRCSA-N
MW179.31 g/mol
LogP3.96
Rot. Bonds1

About molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine

molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine (PubChem CID 144583788) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine.

Molecular Properties

Compound Namemolecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine
PubChem CID144583788
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Namemolecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine
SMILES[H]/N=C/C(C)=C1\C=C(C)CC(C)(C)C1.[H][H]
InChIInChI=1S/C12H19N.H2/c1-9-5-11(10(2)8-13)7-12(3,4)6-9;/h5,8,13H,6-7H2,1-4H3;1H/b11-10+,13-8+;
InChIKeyYWHFFRVSZWUDLU-UIUDXVRCSA-N
XLogP3.96
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.96
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 molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine?
The IUPAC name of molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine (CID 144583788) is molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine.
What is the SMILES notation for molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine?
The canonical SMILES for molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine is [H]/N=C/C(C)=C1\C=C(C)CC(C)(C)C1.[H][H].
What is the InChIKey of molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine?
The InChIKey is YWHFFRVSZWUDLU-UIUDXVRCSA-N. The full InChI is InChI=1S/C12H19N.H2/c1-9-5-11(10(2)8-13)7-12(3,4)6-9;/h5,8,13H,6-7H2,1-4H3;1H/b11-10+,13-8+;.
What are the key properties of molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine?
molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine is sourced from PubChem (CID 144583788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).