N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine

C10H17N — CID 146322748

IUPACN-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine
SMILESC=NC1(C)CC1(C)/C(C)=C/C
InChIInChI=1S/C10H17N/c1-6-8(2)9(3)7-10(9,4)11-5/h6H,5,7H2,1-4H3/b8-6+
InChIKeyBQHWIMFLAVQNCT-SOFGYWHQSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds2

About N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine

N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine (PubChem CID 146322748) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine.

Molecular Properties

Compound NameN-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine
PubChem CID146322748
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine
SMILESC=NC1(C)CC1(C)/C(C)=C/C
InChIInChI=1S/C10H17N/c1-6-8(2)9(3)7-10(9,4)11-5/h6H,5,7H2,1-4H3/b8-6+
InChIKeyBQHWIMFLAVQNCT-SOFGYWHQSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
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-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine?
The IUPAC name of N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine (CID 146322748) is N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine.
What is the SMILES notation for N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine?
The canonical SMILES for N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine is C=NC1(C)CC1(C)/C(C)=C/C.
What is the InChIKey of N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine?
The InChIKey is BQHWIMFLAVQNCT-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H17N/c1-6-8(2)9(3)7-10(9,4)11-5/h6H,5,7H2,1-4H3/b8-6+.
What are the key properties of N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine?
N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine has a molecular weight of 151.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine is sourced from PubChem (CID 146322748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).