2-N-but-3-enyl-3-methylhexane-2,4-diimine

C11H20N2 — CID 123819837

IUPAC2-N-but-3-enyl-3-methylhexane-2,4-diimine
SMILES[H]/N=C(\CC)C(C)/C(C)=N/CCC=C
InChIInChI=1S/C11H20N2/c1-5-7-8-13-10(4)9(3)11(12)6-2/h5,9,12H,1,6-8H2,2-4H3/b12-11+,13-10+
InChIKeyGKYPTKGCOSXEJI-JASOSIDASA-N
MW180.29 g/mol
LogP3.09
Rot. Bonds6

About 2-N-but-3-enyl-3-methylhexane-2,4-diimine

2-N-but-3-enyl-3-methylhexane-2,4-diimine (PubChem CID 123819837) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-N-but-3-enyl-3-methylhexane-2,4-diimine.

Molecular Properties

Compound Name2-N-but-3-enyl-3-methylhexane-2,4-diimine
PubChem CID123819837
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-N-but-3-enyl-3-methylhexane-2,4-diimine
SMILES[H]/N=C(\CC)C(C)/C(C)=N/CCC=C
InChIInChI=1S/C11H20N2/c1-5-7-8-13-10(4)9(3)11(12)6-2/h5,9,12H,1,6-8H2,2-4H3/b12-11+,13-10+
InChIKeyGKYPTKGCOSXEJI-JASOSIDASA-N
XLogP3.09
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-methyl-N-propan-2-ylhept-6-en-2-imine
CID 123513645
N-ethyl-3-methylhex-5-en-2-imine
CID 123547564
2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine
CID 123687525
2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine
CID 123857206
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063
4-Ethenylheptane-1,6-diimine
CID 140575842
3-Ethenylheptane-1,6-diimine
CID 140575858
3-Propylhex-5-en-2-imine
CID 142132618
N-but-3-enyl-3,4,5,5-tetramethylhexan-2-imine
CID 143658290
2-Ethenyl-4-methyliminopentan-1-amine
CID 145468051
4-Methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine
CID 163515360
(4S)-4-ethenyl-6-methylheptane-1,2-diimine
CID 166736814

Frequently Asked Questions

What is the IUPAC name of 2-N-but-3-enyl-3-methylhexane-2,4-diimine?
The IUPAC name of 2-N-but-3-enyl-3-methylhexane-2,4-diimine (CID 123819837) is 2-N-but-3-enyl-3-methylhexane-2,4-diimine.
What is the SMILES notation for 2-N-but-3-enyl-3-methylhexane-2,4-diimine?
The canonical SMILES for 2-N-but-3-enyl-3-methylhexane-2,4-diimine is [H]/N=C(\CC)C(C)/C(C)=N/CCC=C.
What is the InChIKey of 2-N-but-3-enyl-3-methylhexane-2,4-diimine?
The InChIKey is GKYPTKGCOSXEJI-JASOSIDASA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-8-13-10(4)9(3)11(12)6-2/h5,9,12H,1,6-8H2,2-4H3/b12-11+,13-10+.
What are the key properties of 2-N-but-3-enyl-3-methylhexane-2,4-diimine?
2-N-but-3-enyl-3-methylhexane-2,4-diimine has a molecular weight of 180.29 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-but-3-enyl-3-methylhexane-2,4-diimine is sourced from PubChem (CID 123819837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).