N,2,3-trimethylbut-2-en-1-imine

C7H13N — CID 123452663

IUPACN,2,3-trimethylbut-2-en-1-imine
SMILESC/N=C/C(C)=C(C)C
InChIInChI=1S/C7H13N/c1-6(2)7(3)5-8-4/h5H,1-4H3/b8-5+
InChIKeyAMTIPHYBNHFSKE-VMPITWQZSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds1

About N,2,3-trimethylbut-2-en-1-imine

N,2,3-trimethylbut-2-en-1-imine (PubChem CID 123452663) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N,2,3-trimethylbut-2-en-1-imine.

Molecular Properties

Compound NameN,2,3-trimethylbut-2-en-1-imine
PubChem CID123452663
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN,2,3-trimethylbut-2-en-1-imine
SMILESC/N=C/C(C)=C(C)C
InChIInChI=1S/C7H13N/c1-6(2)7(3)5-8-4/h5H,1-4H3/b8-5+
InChIKeyAMTIPHYBNHFSKE-VMPITWQZSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methyl-4-methyliminobut-2-en-2-amine
CID 167081339
(E)-3-chloro-N,2-dimethylpent-2-en-1-imine
CID 176921489
1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine
CID 174036469
N,3-dimethyl-1-methyliminobut-2-en-2-amine
CID 142871224
acetic acid;2-methyliminoacetic acid
CID 87702194
(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine
CID 156736104
3,4-dimethylpenta-1,3-diene
CID 6713443
(E)-2-fluoro-N-methylbut-2-en-1-imine
CID 91188405
(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene
CID 142272318
2-chloro-N-methylbut-2-en-1-imine
CID 123152056
N-acetyl-2-methyliminoacetamide
CID 142043007
1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 118671214

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethylbut-2-en-1-imine?
The IUPAC name of N,2,3-trimethylbut-2-en-1-imine (CID 123452663) is N,2,3-trimethylbut-2-en-1-imine.
What is the SMILES notation for N,2,3-trimethylbut-2-en-1-imine?
The canonical SMILES for N,2,3-trimethylbut-2-en-1-imine is C/N=C/C(C)=C(C)C.
What is the InChIKey of N,2,3-trimethylbut-2-en-1-imine?
The InChIKey is AMTIPHYBNHFSKE-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)7(3)5-8-4/h5H,1-4H3/b8-5+.
What are the key properties of N,2,3-trimethylbut-2-en-1-imine?
N,2,3-trimethylbut-2-en-1-imine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethylbut-2-en-1-imine is sourced from PubChem (CID 123452663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).