3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine

C9H16N2 — CID 123748386

IUPAC3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine
SMILESC=CC(C)/N=C(C)/C(C)=N/C
InChIInChI=1S/C9H16N2/c1-6-7(2)11-9(4)8(3)10-5/h6-7H,1H2,2-5H3/b10-8+,11-9+
InChIKeyMEXONRLROGTGHU-GFULKKFKSA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds3

About 3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine

3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine (PubChem CID 123748386) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine.

Molecular Properties

Compound Name3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine
PubChem CID123748386
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine
SMILESC=CC(C)/N=C(C)/C(C)=N/C
InChIInChI=1S/C9H16N2/c1-6-7(2)11-9(4)8(3)10-5/h6-7H,1H2,2-5H3/b10-8+,11-9+
InChIKeyMEXONRLROGTGHU-GFULKKFKSA-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_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Allyl-(1-methyl-pent-4-enylidene)-amine
CID 22036666
N'-but-3-en-2-yl-N-methylpentane-1,5-diimine
CID 60040695
2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine
CID 90941822
N-but-3-en-2-yl-3-methylbutan-2-imine
CID 123225179
N-pent-1-en-3-ylpent-4-en-1-imine
CID 129120822
3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine
CID 138510684
N-but-3-enylbutan-2-imine
CID 141790655
N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine
CID 142020306
ethane;N-methylpent-4-en-2-imine
CID 144862311
but-1-ene;ethane;N-methylpropan-2-imine
CID 145296976
N-[(Z)-pent-3-en-2-yl]butan-2-imine
CID 145597945
N-but-3-enylbut-3-en-2-imine;ethane
CID 145687212

Frequently Asked Questions

What is the IUPAC name of 3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine?
The IUPAC name of 3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine (CID 123748386) is 3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine.
What is the SMILES notation for 3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine?
The canonical SMILES for 3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine is C=CC(C)/N=C(C)/C(C)=N/C.
What is the InChIKey of 3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine?
The InChIKey is MEXONRLROGTGHU-GFULKKFKSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-7(2)11-9(4)8(3)10-5/h6-7H,1H2,2-5H3/b10-8+,11-9+.
What are the key properties of 3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine?
3-N-but-3-en-2-yl-2-N-methylbutane-2,3-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 3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine is sourced from PubChem (CID 123748386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).