2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine

C13H25N — CID 59179987

IUPAC2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine
SMILESCC(/N=C/C(C)(C)C)=C(\C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-10(13(6,7)8)11(2)14-9-12(3,4)5/h9H,1-8H3/b11-10-,14-9+
InChIKeyUYNBHKAVXXQPRH-YYUCOLILSA-N
MW195.35 g/mol
LogP4.44
Rot. Bonds1

About 2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine

2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine (PubChem CID 59179987) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine
PubChem CID59179987
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine
SMILESCC(/N=C/C(C)(C)C)=C(\C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-10(13(6,7)8)11(2)14-9-12(3,4)5/h9H,1-8H3/b11-10-,14-9+
InChIKeyUYNBHKAVXXQPRH-YYUCOLILSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.44
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)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine?
The IUPAC name of 2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine (CID 59179987) is 2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine?
The canonical SMILES for 2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine is CC(/N=C/C(C)(C)C)=C(\C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine?
The InChIKey is UYNBHKAVXXQPRH-YYUCOLILSA-N. The full InChI is InChI=1S/C13H25N/c1-10(13(6,7)8)11(2)14-9-12(3,4)5/h9H,1-8H3/b11-10-,14-9+.
What are the key properties of 2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine?
2,2-dimethyl-N-[(Z)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine has a molecular weight of 195.35 g/mol, XLogP of 4.44, 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)-3,4,4-trimethylpent-2-en-2-yl]propan-1-imine is sourced from PubChem (CID 59179987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).