N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine

C9H15N — CID 142132563

IUPACN-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine
SMILESC=N/C=C(/CCC)C(=C)C
InChIInChI=1S/C9H15N/c1-5-6-9(7-10-4)8(2)3/h7H,2,4-6H2,1,3H3/b9-7-
InChIKeyBBKFWLOHKWKMGB-CLFYSBASSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds4

About N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine

N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine (PubChem CID 142132563) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine
PubChem CID142132563
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine
SMILESC=N/C=C(/CCC)C(=C)C
InChIInChI=1S/C9H15N/c1-5-6-9(7-10-4)8(2)3/h7H,2,4-6H2,1,3H3/b9-7-
InChIKeyBBKFWLOHKWKMGB-CLFYSBASSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
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-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine
CID 163369917
N-[(Z)-2-ethylpent-1-enyl]ethanimine
CID 89306117
N-[(E)-2-methylpent-1-enyl]ethanimine
CID 89343582
N-(5-methylhexa-1,5-dienyl)methanimine
CID 91368315
3-Ethyl-4,5-dimethylidenepyridine
CID 91413289
N-(2-ethylbut-1-enyl)methanimine
CID 118048895
N-[(Z)-2-methylpent-1-enyl]methanimine
CID 118201327
N-(4-methyl-3-methylidenepent-4-enyl)methanimine
CID 123326935
N-(2-ethylbuta-1,3-dienyl)methanimine
CID 123335601
N-[(E)-2-methylhex-1-enyl]ethanimine
CID 123416637
Methyl-methylidene-(2-methylpent-1-enyl)azanium
CID 123658190
N-(2-ethenylpent-1-enyl)methanimine
CID 123940745

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine?
The IUPAC name of N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine (CID 142132563) is N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine is C=N/C=C(/CCC)C(=C)C.
What is the InChIKey of N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine?
The InChIKey is BBKFWLOHKWKMGB-CLFYSBASSA-N. The full InChI is InChI=1S/C9H15N/c1-5-6-9(7-10-4)8(2)3/h7H,2,4-6H2,1,3H3/b9-7-.
What are the key properties of N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine?
N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine is sourced from PubChem (CID 142132563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).