N-(3-methylbuta-1,3-dien-2-yl)ethanimine

C7H11N — CID 143682884

IUPACN-(3-methylbuta-1,3-dien-2-yl)ethanimine
SMILESC=C(C)C(=C)/N=C/C
InChIInChI=1S/C7H11N/c1-5-8-7(4)6(2)3/h5H,2,4H2,1,3H3/b8-5+
InChIKeyYHTYUWBOTJYCHN-VMPITWQZSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-(3-methylbuta-1,3-dien-2-yl)ethanimine

N-(3-methylbuta-1,3-dien-2-yl)ethanimine (PubChem CID 143682884) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-(3-methylbuta-1,3-dien-2-yl)ethanimine.

Molecular Properties

Compound NameN-(3-methylbuta-1,3-dien-2-yl)ethanimine
PubChem CID143682884
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-(3-methylbuta-1,3-dien-2-yl)ethanimine
SMILESC=C(C)C(=C)/N=C/C
InChIInChI=1S/C7H11N/c1-5-8-7(4)6(2)3/h5H,2,4H2,1,3H3/b8-5+
InChIKeyYHTYUWBOTJYCHN-VMPITWQZSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
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-(3-methylbuta-1,3-dien-2-yl)methanimine
CID 58825943
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]prop-2-en-1-imine
CID 90070795
N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine
CID 90734347
N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine
CID 90886674
N-[(3E)-3-methylhexa-1,3-dien-2-yl]ethanimine
CID 91451392
N-(3-methylpenta-1,3-dien-2-yl)ethanimine
CID 91483413
(Z)-N-[(3E)-3-methylpenta-1,3-dien-2-yl]but-2-en-1-imine
CID 117656645
N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine
CID 123241614
N-[(3E)-4-(ethylideneamino)-3-methylbuta-1,3-dien-2-yl]propan-2-imine
CID 123400810
N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine
CID 123405687
N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123590724
N-[(3E)-3-methylpenta-1,3-dien-2-yl]ethanimine
CID 123600046

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbuta-1,3-dien-2-yl)ethanimine?
The IUPAC name of N-(3-methylbuta-1,3-dien-2-yl)ethanimine (CID 143682884) is N-(3-methylbuta-1,3-dien-2-yl)ethanimine.
What is the SMILES notation for N-(3-methylbuta-1,3-dien-2-yl)ethanimine?
The canonical SMILES for N-(3-methylbuta-1,3-dien-2-yl)ethanimine is C=C(C)C(=C)/N=C/C.
What is the InChIKey of N-(3-methylbuta-1,3-dien-2-yl)ethanimine?
The InChIKey is YHTYUWBOTJYCHN-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11N/c1-5-8-7(4)6(2)3/h5H,2,4H2,1,3H3/b8-5+.
What are the key properties of N-(3-methylbuta-1,3-dien-2-yl)ethanimine?
N-(3-methylbuta-1,3-dien-2-yl)ethanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbuta-1,3-dien-2-yl)ethanimine is sourced from PubChem (CID 143682884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).