N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine

C11H19N — CID 123808349

IUPACN-(2-methylhexa-2,4-dien-3-yl)butan-1-imine
SMILESCC=CC(/N=C/CCC)=C(C)C
InChIInChI=1S/C11H19N/c1-5-7-9-12-11(8-6-2)10(3)4/h6,8-9H,5,7H2,1-4H3/b8-6?,12-9+
InChIKeyAAVKKBRWRSSSID-JGFPMATBSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds4

About N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine

N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine (PubChem CID 123808349) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine.

Molecular Properties

Compound NameN-(2-methylhexa-2,4-dien-3-yl)butan-1-imine
PubChem CID123808349
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(2-methylhexa-2,4-dien-3-yl)butan-1-imine
SMILESCC=CC(/N=C/CCC)=C(C)C
InChIInChI=1S/C11H19N/c1-5-7-9-12-11(8-6-2)10(3)4/h6,8-9H,5,7H2,1-4H3/b8-6?,12-9+
InChIKeyAAVKKBRWRSSSID-JGFPMATBSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-2-methylbutan-1-imine
CID 142106097
7-[(1Z)-buta-1,3-dienyl]-6-methyl-3H-azepine
CID 88243648
N-[(3Z)-penta-1,3-dien-2-yl]ethanimine
CID 88948676
1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine
CID 89094224
N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
CID 89207277
N-(3-methylbut-2-en-2-yl)prop-2-en-1-imine
CID 89311573
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-methylprop-2-en-1-imine
CID 89426810
2-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine
CID 89426811
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]prop-2-en-1-imine
CID 89502556
N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]ethanimine
CID 89502557
N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimine
CID 89899368
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]prop-2-en-1-imine
CID 90070795

Frequently Asked Questions

What is the IUPAC name of N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine?
The IUPAC name of N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine (CID 123808349) is N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine.
What is the SMILES notation for N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine?
The canonical SMILES for N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine is CC=CC(/N=C/CCC)=C(C)C.
What is the InChIKey of N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine?
The InChIKey is AAVKKBRWRSSSID-JGFPMATBSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-9-12-11(8-6-2)10(3)4/h6,8-9H,5,7H2,1-4H3/b8-6?,12-9+.
What are the key properties of N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine?
N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylhexa-2,4-dien-3-yl)butan-1-imine is sourced from PubChem (CID 123808349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).