N-[(Z)-but-2-en-2-yl]butan-2-imine

C8H15N — CID 12603157

IUPACN-[(Z)-but-2-en-2-yl]butan-2-imine
SMILESC/C=C(C)\N=C(/C)CC
InChIInChI=1S/C8H15N/c1-5-7(3)9-8(4)6-2/h5H,6H2,1-4H3/b7-5-,9-8+
InChIKeyJCYZJVVHLSUKKU-SUHGFZJFSA-N
MW125.21 g/mol
LogP2.78
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]butan-2-imine

N-[(Z)-but-2-en-2-yl]butan-2-imine (PubChem CID 12603157) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]butan-2-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]butan-2-imine
PubChem CID12603157
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-[(Z)-but-2-en-2-yl]butan-2-imine
SMILESC/C=C(C)\N=C(/C)CC
InChIInChI=1S/C8H15N/c1-5-7(3)9-8(4)6-2/h5H,6H2,1-4H3/b7-5-,9-8+
InChIKeyJCYZJVVHLSUKKU-SUHGFZJFSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(butan-2-ylideneamino)ethylidene-dimethylazanium
CID 91175550
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol
CID 142201906
N-butan-2-ylidenehydroxylamine
CID 7292
N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine
CID 155717476
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-methoxy-6-methylocta-4,6-dien-3-imine;ethane
CID 177040279
N-butan-2-ylidenehydroxylamine;vanadium
CID 162258260
(Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine
CID 130369980
1-butan-2-ylideneguanidine
CID 161053722
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047244
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047288
(4Z)-5-(butan-2-ylideneamino)hepta-1,4-dien-3-ol
CID 159305024

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]butan-2-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]butan-2-imine (CID 12603157) is N-[(Z)-but-2-en-2-yl]butan-2-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]butan-2-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]butan-2-imine is C/C=C(C)\N=C(/C)CC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]butan-2-imine?
The InChIKey is JCYZJVVHLSUKKU-SUHGFZJFSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(3)9-8(4)6-2/h5H,6H2,1-4H3/b7-5-,9-8+.
What are the key properties of N-[(Z)-but-2-en-2-yl]butan-2-imine?
N-[(Z)-but-2-en-2-yl]butan-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]butan-2-imine is sourced from PubChem (CID 12603157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).