3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine

C11H19N — CID 139503767

IUPAC3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C\N=C\C(=C(C)C)C(C)C
InChIInChI=1S/C11H19N/c1-6-7-12-8-11(9(2)3)10(4)5/h6-9H,1-5H3/b7-6-,12-8+
InChIKeyQHJYYKOSZPITLW-UGLNBITBSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds3

About 3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine

3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine (PubChem CID 139503767) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
PubChem CID139503767
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C\N=C\C(=C(C)C)C(C)C
InChIInChI=1S/C11H19N/c1-6-7-12-8-11(9(2)3)10(4)5/h6-9H,1-5H3/b7-6-,12-8+
InChIKeyQHJYYKOSZPITLW-UGLNBITBSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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

7-fluoro-6-propan-2-yl-4H-azepine
CID 129194067
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CID 142433312
3-fluoro-6-propan-2-yl-4H-azepine
CID 167012471
3-propan-2-yl-4H-pyridin-4-ide;rhodium
CID 58126790
3-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 58365241
(2Z,6Z)-2,3-di(propan-2-yl)-1,5-diazocine
CID 58763006
5-Propan-2-yl-2,3-dihydropyridine
CID 59752208
(1E)-2-Ethyl-N-(2-methylpropyl)hex-2-en-1-imine
CID 71343072
N-[(Z)-but-1-enyl]-2-methylbutan-1-imine
CID 88060174
(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine
CID 88562301
(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
CID 88576624
(Z)-N-butyl-2,5-dimethylhex-2-en-1-imine
CID 88903609

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The IUPAC name of 3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine (CID 139503767) is 3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine.
What is the SMILES notation for 3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The canonical SMILES for 3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine is C/C=C\N=C\C(=C(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The InChIKey is QHJYYKOSZPITLW-UGLNBITBSA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-12-8-11(9(2)3)10(4)5/h6-9H,1-5H3/b7-6-,12-8+.
What are the key properties of 3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 139503767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).