(E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine

C15H25N — CID 145143502

IUPAC(E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
SMILESC/C=C\C(\C(C)=N\C=C\CC)=C(\C)CCC
InChIInChI=1S/C15H25N/c1-6-9-12-16-14(5)15(11-8-3)13(4)10-7-2/h8-9,11-12H,6-7,10H2,1-5H3/b11-8-,12-9+,15-13+,16-14+
InChIKeySEIOYPROHDQHCR-HAPBOSBRSA-N
MW219.37 g/mol
LogP5.06
Rot. Bonds6

About (E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine

(E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine (PubChem CID 145143502) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
PubChem CID145143502
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
SMILESC/C=C\C(\C(C)=N\C=C\CC)=C(\C)CCC
InChIInChI=1S/C15H25N/c1-6-9-12-16-14(5)15(11-8-3)13(4)10-7-2/h8-9,11-12H,6-7,10H2,1-5H3/b11-8-,12-9+,15-13+,16-14+
InChIKeySEIOYPROHDQHCR-HAPBOSBRSA-N
XLogP5.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.37
LogP ≤ 55.06
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

(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
CID 145143694
N-[(Z)-but-1-enyl]propan-2-imine;ethane
CID 145419661
6,7-dimethyldeca-2,6-diene
CID 91199113
N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide
CID 155443629
(E)-4,5-dimethyloct-4-ene
CID 12714364
N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane
CID 143929695
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine
CID 142099496
nitrous acid;pent-2-ene
CID 87504144
(2E,4E,6Z,8E)-3,5,7-trimethylundeca-2,4,6,8-tetraene
CID 14656048
(Z)-5-propan-2-ylideneoct-3-ene
CID 171660172
(2Z,4Z,6Z)-4-methyl-5-propylocta-2,4,6-triene
CID 144517044
(3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene
CID 145121854

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine?
The IUPAC name of (E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine (CID 145143502) is (E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine.
What is the SMILES notation for (E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine?
The canonical SMILES for (E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine is C/C=C\C(\C(C)=N\C=C\CC)=C(\C)CCC.
What is the InChIKey of (E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine?
The InChIKey is SEIOYPROHDQHCR-HAPBOSBRSA-N. The full InChI is InChI=1S/C15H25N/c1-6-9-12-16-14(5)15(11-8-3)13(4)10-7-2/h8-9,11-12H,6-7,10H2,1-5H3/b11-8-,12-9+,15-13+,16-14+.
What are the key properties of (E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine?
(E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine has a molecular weight of 219.37 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine is sourced from PubChem (CID 145143502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).