N-[(Z)-hept-4-enyl]prop-2-yn-1-imine

C10H15N — CID 89244886

IUPACN-[(Z)-hept-4-enyl]prop-2-yn-1-imine
SMILESC#C/C=N/CCC/C=C\CC
InChIInChI=1S/C10H15N/c1-3-5-6-7-8-10-11-9-4-2/h2,5-6,9H,3,7-8,10H2,1H3/b6-5-,11-9+
InChIKeyUULOJLSZHVBFCN-QEYVUMQQSA-N
MW149.24 g/mol
LogP2.44
Rot. Bonds5

About N-[(Z)-hept-4-enyl]prop-2-yn-1-imine

N-[(Z)-hept-4-enyl]prop-2-yn-1-imine (PubChem CID 89244886) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(Z)-hept-4-enyl]prop-2-yn-1-imine.

Molecular Properties

Compound NameN-[(Z)-hept-4-enyl]prop-2-yn-1-imine
PubChem CID89244886
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(Z)-hept-4-enyl]prop-2-yn-1-imine
SMILESC#C/C=N/CCC/C=C\CC
InChIInChI=1S/C10H15N/c1-3-5-6-7-8-10-11-9-4-2/h2,5-6,9H,3,7-8,10H2,1H3/b6-5-,11-9+
InChIKeyUULOJLSZHVBFCN-QEYVUMQQSA-N
XLogP2.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hex-4-enylethanimine
CID 123718619
(Z)-N-pent-4-enylpent-2-en-1-imine
CID 124173332
(Z)-N-[(E)-hex-4-enyl]but-2-en-1-imine
CID 124181992
(E)-N-butylhex-2-en-1-imine
CID 139394745
N-butylhex-2-en-1-imine
CID 139798178
ethane;(E)-N-methylhept-3-en-1-imine;prop-1-yne
CID 142054607
ethane;(Z)-N-methylpent-2-en-1-imine;prop-1-yne
CID 142054609
acetylene;(Z)-N-methylpent-2-en-1-imine
CID 142232791
(Z)-N-butylhex-4-en-1-imine;ethane
CID 142891132
N-[(Z,3S)-2,3-dimethylhept-4-en-6-ynyl]ethanimine
CID 149185401
N-[(E)-hept-4-enyl]methanimine
CID 163500036
N-[(Z)-hex-4-enyl]ethanimine
CID 142003002

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hept-4-enyl]prop-2-yn-1-imine?
The IUPAC name of N-[(Z)-hept-4-enyl]prop-2-yn-1-imine (CID 89244886) is N-[(Z)-hept-4-enyl]prop-2-yn-1-imine.
What is the SMILES notation for N-[(Z)-hept-4-enyl]prop-2-yn-1-imine?
The canonical SMILES for N-[(Z)-hept-4-enyl]prop-2-yn-1-imine is C#C/C=N/CCC/C=C\CC.
What is the InChIKey of N-[(Z)-hept-4-enyl]prop-2-yn-1-imine?
The InChIKey is UULOJLSZHVBFCN-QEYVUMQQSA-N. The full InChI is InChI=1S/C10H15N/c1-3-5-6-7-8-10-11-9-4-2/h2,5-6,9H,3,7-8,10H2,1H3/b6-5-,11-9+.
What are the key properties of N-[(Z)-hept-4-enyl]prop-2-yn-1-imine?
N-[(Z)-hept-4-enyl]prop-2-yn-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hept-4-enyl]prop-2-yn-1-imine is sourced from PubChem (CID 89244886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).