N,3,4-trimethylpent-2-en-1-imine

C8H15N — CID 123590222

IUPACN,3,4-trimethylpent-2-en-1-imine
SMILESC/N=C/C=C(C)C(C)C
InChIInChI=1S/C8H15N/c1-7(2)8(3)5-6-9-4/h5-7H,1-4H3/b8-5?,9-6+
InChIKeyFDWWZRPEERJBRT-QTQRZSEBSA-N
MW125.21 g/mol
LogP2.29
Rot. Bonds2

About N,3,4-trimethylpent-2-en-1-imine

N,3,4-trimethylpent-2-en-1-imine (PubChem CID 123590222) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,3,4-trimethylpent-2-en-1-imine.

Molecular Properties

Compound NameN,3,4-trimethylpent-2-en-1-imine
PubChem CID123590222
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,3,4-trimethylpent-2-en-1-imine
SMILESC/N=C/C=C(C)C(C)C
InChIInChI=1S/C8H15N/c1-7(2)8(3)5-6-9-4/h5-7H,1-4H3/b8-5?,9-6+
InChIKeyFDWWZRPEERJBRT-QTQRZSEBSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.29
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 N,3,4-trimethylpent-2-en-1-imine?
The IUPAC name of N,3,4-trimethylpent-2-en-1-imine (CID 123590222) is N,3,4-trimethylpent-2-en-1-imine.
What is the SMILES notation for N,3,4-trimethylpent-2-en-1-imine?
The canonical SMILES for N,3,4-trimethylpent-2-en-1-imine is C/N=C/C=C(C)C(C)C.
What is the InChIKey of N,3,4-trimethylpent-2-en-1-imine?
The InChIKey is FDWWZRPEERJBRT-QTQRZSEBSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)8(3)5-6-9-4/h5-7H,1-4H3/b8-5?,9-6+.
What are the key properties of N,3,4-trimethylpent-2-en-1-imine?
N,3,4-trimethylpent-2-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethylpent-2-en-1-imine is sourced from PubChem (CID 123590222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).