2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine

C12H23N — CID 59179868

IUPAC2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine
SMILESC/C(=C/N=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(12(5,6)7)8-13-9-11(2,3)4/h8-9H,1-7H3/b10-8-,13-9+
InChIKeyREZLJYXBFJUFSN-KKCPJAHZSA-N
MW181.32 g/mol
LogP4.05
Rot. Bonds1

About 2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine

2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine (PubChem CID 59179868) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine
PubChem CID59179868
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine
SMILESC/C(=C/N=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(12(5,6)7)8-13-9-11(2,3)4/h8-9H,1-7H3/b10-8-,13-9+
InChIKeyREZLJYXBFJUFSN-KKCPJAHZSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
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 2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine?
The IUPAC name of 2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine (CID 59179868) is 2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine?
The canonical SMILES for 2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine is C/C(=C/N=C/C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine?
The InChIKey is REZLJYXBFJUFSN-KKCPJAHZSA-N. The full InChI is InChI=1S/C12H23N/c1-10(12(5,6)7)8-13-9-11(2,3)4/h8-9H,1-7H3/b10-8-,13-9+.
What are the key properties of 2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine?
2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine has a molecular weight of 181.32 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine is sourced from PubChem (CID 59179868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).