N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine

C11H19N — CID 167041258

IUPACN-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N/C(C)=C\CCCC
InChIInChI=1S/C11H19N/c1-5-6-7-8-11(4)12-9-10(2)3/h8-9H,2,5-7H2,1,3-4H3/b11-8-,12-9+
InChIKeyXTVPWDSAQUYANC-QABOREQESA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds5

About N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine

N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine (PubChem CID 167041258) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine.

Molecular Properties

Compound NameN-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine
PubChem CID167041258
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N/C(C)=C\CCCC
InChIInChI=1S/C11H19N/c1-5-6-7-8-11(4)12-9-10(2)3/h8-9H,2,5-7H2,1,3-4H3/b11-8-,12-9+
InChIKeyXTVPWDSAQUYANC-QABOREQESA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
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'}

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Related Compounds

4,5-dimethyldeca-3,5-diene
CID 76540100
2-methyl-N-pentylprop-2-en-1-imine
CID 169090203
(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine
CID 139297390
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
(Z)-N-(methylideneamino)hept-2-en-2-amine
CID 134535297
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912
4-methylnona-2,4-diene
CID 123785331
(2E,4Z)-4-methylnona-2,4-diene
CID 139728618
lithium hept-2-en-2-olate
CID 134859584
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine
CID 142915693
(3E)-3-fluoro-2-methylnona-1,3-diene
CID 102212096
(Z)-N-methylhept-2-en-2-amine
CID 90448408

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine?
The IUPAC name of N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine (CID 167041258) is N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine.
What is the SMILES notation for N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine?
The canonical SMILES for N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine is C=C(C)/C=N/C(C)=C\CCCC.
What is the InChIKey of N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine?
The InChIKey is XTVPWDSAQUYANC-QABOREQESA-N. The full InChI is InChI=1S/C11H19N/c1-5-6-7-8-11(4)12-9-10(2)3/h8-9H,2,5-7H2,1,3-4H3/b11-8-,12-9+.
What are the key properties of N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine?
N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine is sourced from PubChem (CID 167041258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).