2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine

C9H16N2 — CID 123216675

IUPAC2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine
SMILESC=C(C)C(/C=N/C(C)C)=N\C
InChIInChI=1S/C9H16N2/c1-7(2)9(10-5)6-11-8(3)4/h6,8H,1H2,2-5H3/b10-9-,11-6+
InChIKeyVWVFIFVPOOTVPP-AOXGIJKRSA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds3

About 2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine

2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine (PubChem CID 123216675) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine.

Molecular Properties

Compound Name2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine
PubChem CID123216675
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine
SMILESC=C(C)C(/C=N/C(C)C)=N\C
InChIInChI=1S/C9H16N2/c1-7(2)9(10-5)6-11-8(3)4/h6,8H,1H2,2-5H3/b10-9-,11-6+
InChIKeyVWVFIFVPOOTVPP-AOXGIJKRSA-N
XLogP2.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine
CID 123202202
N,3-dimethylbut-3-en-2-imine;ethane
CID 141930815
ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 142218579
ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide
CID 142218592
ethane;(Z)-4-N-ethylidene-3-methylbut-3-ene-2,4-diimine
CID 143985554
(3Z)-N-ethyl-3-[(methylideneamino)methylidene]pentan-2-imine
CID 167049394
(2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine
CID 171500012
N-[1-(but-3-en-2-ylideneamino)-2-methylprop-1-enyl]-2-methylprop-2-en-1-imine
CID 173561417
N-tert-butyl-2-methylidenebutan-1-imine
CID 12730437
N-tert-butyl-3-methylbut-3-en-1-imine
CID 100989146
N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 142218580
N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide
CID 142218593

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine?
The IUPAC name of 2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine (CID 123216675) is 2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine.
What is the SMILES notation for 2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine?
The canonical SMILES for 2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine is C=C(C)C(/C=N/C(C)C)=N\C.
What is the InChIKey of 2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine?
The InChIKey is VWVFIFVPOOTVPP-AOXGIJKRSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9(10-5)6-11-8(3)4/h6,8H,1H2,2-5H3/b10-9-,11-6+.
What are the key properties of 2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine?
2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine is sourced from PubChem (CID 123216675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).