4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine

C16H28N2 — CID 126599381

IUPAC4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine
SMILESCCC/C=C/N=C(\C)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C16H28N2/c1-7-9-10-11-17-15(6)16(13(3)4)18-12-14(5)8-2/h10-12,14H,7-9H2,1-6H3/b11-10+,17-15+,18-12+
InChIKeyPDVVHBHMJXBHDK-QNAIFCEVSA-N
MW248.41 g/mol
LogP5.17
Rot. Bonds7

About 4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine

4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine (PubChem CID 126599381) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine.

Molecular Properties

Compound Name4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine
PubChem CID126599381
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine
SMILESCCC/C=C/N=C(\C)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C16H28N2/c1-7-9-10-11-17-15(6)16(13(3)4)18-12-14(5)8-2/h10-12,14H,7-9H2,1-6H3/b11-10+,17-15+,18-12+
InChIKeyPDVVHBHMJXBHDK-QNAIFCEVSA-N
XLogP5.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.17
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

N-[(Z)-pent-1-enyl]propan-2-imine
CID 145467907
ethane;3-methyl-2-(2-methylbutylideneamino)-N-[(E)-pent-1-enyl]but-2-enamide;(5-methyloxolan-2-yl)methoxy-oxoborane;propane
CID 145259371
N'-ethyl-N-(2-methylbutylidene)ethanimidamide
CID 142099133
(Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine
CID 142056728
(NZ)-N-[(2S)-2-methylbutylidene]hydroxylamine
CID 71448984
(4R)-2,4-dimethylhex-2-ene
CID 142611901
ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine
CID 176962867
(E)-1-nitrosopent-1-ene
CID 148875645
acetic acid;(Z)-hex-2-en-1-ol
CID 170839903
(E)-2-amino-4-(2-methylbutylideneamino)hex-3-enoic acid
CID 91443581
(3E)-4-N-(4,5-difluoro-2-methylphenyl)-3-ethylidene-2-N-[(E)-pent-1-enyl]octane-2,4-diimine
CID 142397589
(E)-4-methylhex-2-en-1-ol
CID 12036147

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine?
The IUPAC name of 4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine (CID 126599381) is 4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine.
What is the SMILES notation for 4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine?
The canonical SMILES for 4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine is CCC/C=C/N=C(\C)C(/N=C/C(C)CC)=C(C)C.
What is the InChIKey of 4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine?
The InChIKey is PDVVHBHMJXBHDK-QNAIFCEVSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-9-10-11-17-15(6)16(13(3)4)18-12-14(5)8-2/h10-12,14H,7-9H2,1-6H3/b11-10+,17-15+,18-12+.
What are the key properties of 4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine?
4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine has a molecular weight of 248.41 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine is sourced from PubChem (CID 126599381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).