N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine

C24H46N2 — CID 161135857

IUPACN-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-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.CC(=C/C(C)(C)C)/N=C/C(C)(C)C
InChIInChI=1S/2C12H23N/c1-10(12(5,6)7)8-13-9-11(2,3)4;1-10(8-11(2,3)4)13-9-12(5,6)7/h2*8-9H,1-7H3/b2*10-8-,13-9+
InChIKeyUMUAKRIYBYNXFX-PPVLHWSMSA-N
MW362.65 g/mol
LogP8.11
Rot. Bonds2

About N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine

N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine (PubChem CID 161135857) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine.

Molecular Properties

Compound NameN-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine
PubChem CID161135857
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC NameN-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-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.CC(=C/C(C)(C)C)/N=C/C(C)(C)C
InChIInChI=1S/2C12H23N/c1-10(12(5,6)7)8-13-9-11(2,3)4;1-10(8-11(2,3)4)13-9-12(5,6)7/h2*8-9H,1-7H3/b2*10-8-,13-9+
InChIKeyUMUAKRIYBYNXFX-PPVLHWSMSA-N
XLogP8.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine?
The IUPAC name of N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine (CID 161135857) is N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine.
What is the SMILES notation for N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine?
The canonical SMILES for N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;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.CC(=C/C(C)(C)C)/N=C/C(C)(C)C.
What is the InChIKey of N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine?
The InChIKey is UMUAKRIYBYNXFX-PPVLHWSMSA-N. The full InChI is InChI=1S/2C12H23N/c1-10(12(5,6)7)8-13-9-11(2,3)4;1-10(8-11(2,3)4)13-9-12(5,6)7/h2*8-9H,1-7H3/b2*10-8-,13-9+.
What are the key properties of N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine?
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine has a molecular weight of 362.65 g/mol, XLogP of 8.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine is sourced from PubChem (CID 161135857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).