N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine

C14H25N — CID 134300471

IUPACN-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine
SMILESC=NC(C(=C)C)C1CC1CC(C)(C)CC
InChIInChI=1S/C14H25N/c1-7-14(4,5)9-11-8-12(11)13(15-6)10(2)3/h11-13H,2,6-9H2,1,3-5H3
InChIKeyXIUDLEOBIGKQEG-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.09
Rot. Bonds6

About N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine

N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine (PubChem CID 134300471) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine.

Molecular Properties

Compound NameN-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine
PubChem CID134300471
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine
SMILESC=NC(C(=C)C)C1CC1CC(C)(C)CC
InChIInChI=1S/C14H25N/c1-7-14(4,5)9-11-8-12(11)13(15-6)10(2)3/h11-13H,2,6-9H2,1,3-5H3
InChIKeyXIUDLEOBIGKQEG-UHFFFAOYSA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine?
The IUPAC name of N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine (CID 134300471) is N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine.
What is the SMILES notation for N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine?
The canonical SMILES for N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine is C=NC(C(=C)C)C1CC1CC(C)(C)CC.
What is the InChIKey of N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine?
The InChIKey is XIUDLEOBIGKQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-7-14(4,5)9-11-8-12(11)13(15-6)10(2)3/h11-13H,2,6-9H2,1,3-5H3.
What are the key properties of N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine?
N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine has a molecular weight of 207.36 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,2-dimethylbutyl)cyclopropyl]-2-methylprop-2-enyl]methanimine is sourced from PubChem (CID 134300471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).