N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine

C8H14N2 — CID 139307656

IUPACN-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine
SMILESC=N/C=C(\N=C)C(C)(C)C
InChIInChI=1S/C8H14N2/c1-8(2,3)7(10-5)6-9-4/h6H,4-5H2,1-3H3/b7-6-
InChIKeySAWRKBVWZYZKHP-SREVYHEPSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds2

About N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine

N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine (PubChem CID 139307656) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine
PubChem CID139307656
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine
SMILESC=N/C=C(\N=C)C(C)(C)C
InChIInChI=1S/C8H14N2/c1-8(2,3)7(10-5)6-9-4/h6H,4-5H2,1-3H3/b7-6-
InChIKeySAWRKBVWZYZKHP-SREVYHEPSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine?
The IUPAC name of N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine (CID 139307656) is N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine is C=N/C=C(\N=C)C(C)(C)C.
What is the InChIKey of N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine?
The InChIKey is SAWRKBVWZYZKHP-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2,3)7(10-5)6-9-4/h6H,4-5H2,1-3H3/b7-6-.
What are the key properties of N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine?
N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine has a molecular weight of 138.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]methanimine is sourced from PubChem (CID 139307656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).