2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine

C13H24N2 — CID 123857206

IUPAC2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine
SMILES[H]/N=C(CC)/C(C)=N/C(C)CCC(C)C=C
InChIInChI=1S/C13H24N2/c1-6-10(3)8-9-11(4)15-12(5)13(14)7-2/h6,10-11,14H,1,7-9H2,2-5H3/b14-13+,15-12+
InChIKeyBVTRNEVPNGWIDT-RCQWFYMDSA-N
MW208.35 g/mol
LogP3.87
Rot. Bonds7

About 2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine

2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine (PubChem CID 123857206) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine.

Molecular Properties

Compound Name2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine
PubChem CID123857206
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine
SMILES[H]/N=C(CC)/C(C)=N/C(C)CCC(C)C=C
InChIInChI=1S/C13H24N2/c1-6-10(3)8-9-11(4)15-12(5)13(14)7-2/h6,10-11,14H,1,7-9H2,2-5H3/b14-13+,15-12+
InChIKeyBVTRNEVPNGWIDT-RCQWFYMDSA-N
XLogP3.87
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Imino-6-methylhept-1-en-4-amine
CID 89093635
3-Imino-5-methyloct-7-en-2-amine
CID 90277713
N-hexyl-4-methylhepta-1,6-dien-3-imine
CID 123453605
3-ethyl-4-methyl-N-propan-2-ylhept-6-en-2-imine
CID 123513645
4-N-hexan-2-ylhex-5-ene-2,4-diimine
CID 123670122
2-N-but-3-enyl-3-methylhexane-2,4-diimine
CID 123819837
6-Methyl-5-prop-2-enyl-2,3,4,5-tetrahydropyridine
CID 123939563
3-Imino-5-methylhept-6-en-2-amine
CID 124011593
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063
2-[(Z)-2-methylhept-5-enyl]iminopropan-1-amine
CID 130242798
3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine
CID 139481882
3-Ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine
CID 144799384

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine?
The IUPAC name of 2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine (CID 123857206) is 2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine.
What is the SMILES notation for 2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine?
The canonical SMILES for 2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine is [H]/N=C(CC)/C(C)=N/C(C)CCC(C)C=C.
What is the InChIKey of 2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine?
The InChIKey is BVTRNEVPNGWIDT-RCQWFYMDSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-10(3)8-9-11(4)15-12(5)13(14)7-2/h6,10-11,14H,1,7-9H2,2-5H3/b14-13+,15-12+.
What are the key properties of 2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine?
2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine has a molecular weight of 208.35 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine is sourced from PubChem (CID 123857206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).