(Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine

C14H25N — CID 123148313

IUPAC(Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine
SMILESC=C(C)CC/N=C(C)/C=C(/C)C(C)CC
InChIInChI=1S/C14H25N/c1-7-12(4)13(5)10-14(6)15-9-8-11(2)3/h10,12H,2,7-9H2,1,3-6H3/b13-10-,15-14+
InChIKeyJMCSKPPNDIUMLV-FZQUVCEYSA-N
MW207.36 g/mol
LogP4.41
Rot. Bonds6

About (Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine

(Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine (PubChem CID 123148313) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine
PubChem CID123148313
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine
SMILESC=C(C)CC/N=C(C)/C=C(/C)C(C)CC
InChIInChI=1S/C14H25N/c1-7-12(4)13(5)10-14(6)15-9-8-11(2)3/h10,12H,2,7-9H2,1,3-6H3/b13-10-,15-14+
InChIKeyJMCSKPPNDIUMLV-FZQUVCEYSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,4,6-Trimethyl-2,3-dihydropyridine
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2,3,4-Trimethyl-2,3-dihydropyridine
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2,3,5-tri(propan-2-yl)-2H-pyrrole
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4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716
3,5-di(propan-2-yl)-2H-pyrrole
CID 59519975
2-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2,3-dihydropyridine
CID 59887795
5-methyl-3-propan-2-yl-2H-pyrrole
CID 60081031
(2R,3R)-2,3,4,5,6-pentamethyl-2,3-dihydropyridine
CID 60123253
(3S)-2,3,4-trimethyl-2,3-dihydropyridine
CID 68030579
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CID 72655827

Frequently Asked Questions

What is the IUPAC name of (Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine?
The IUPAC name of (Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine (CID 123148313) is (Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine.
What is the SMILES notation for (Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine?
The canonical SMILES for (Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine is C=C(C)CC/N=C(C)/C=C(/C)C(C)CC.
What is the InChIKey of (Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine?
The InChIKey is JMCSKPPNDIUMLV-FZQUVCEYSA-N. The full InChI is InChI=1S/C14H25N/c1-7-12(4)13(5)10-14(6)15-9-8-11(2)3/h10,12H,2,7-9H2,1,3-6H3/b13-10-,15-14+.
What are the key properties of (Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine?
(Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine has a molecular weight of 207.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5-dimethyl-N-(3-methylbut-3-enyl)hept-3-en-2-imine is sourced from PubChem (CID 123148313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).