(Z)-3-butyl-4-propylhex-3-ene-2,5-diimine

C13H24N2 — CID 170596715

IUPAC(Z)-3-butyl-4-propylhex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C(CCC)=C(CCCC)\C(C)=N\[H]
InChIInChI=1S/C13H24N2/c1-5-7-9-13(11(4)15)12(8-6-2)10(3)14/h14-15H,5-9H2,1-4H3/b13-12-,14-10+,15-11+
InChIKeyQRGPLRFOHIKFBQ-SWCQDDKCSA-N
MW208.35 g/mol
LogP4.35
Rot. Bonds7

About (Z)-3-butyl-4-propylhex-3-ene-2,5-diimine

(Z)-3-butyl-4-propylhex-3-ene-2,5-diimine (PubChem CID 170596715) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-3-butyl-4-propylhex-3-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-3-butyl-4-propylhex-3-ene-2,5-diimine
PubChem CID170596715
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-3-butyl-4-propylhex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C(CCC)=C(CCCC)\C(C)=N\[H]
InChIInChI=1S/C13H24N2/c1-5-7-9-13(11(4)15)12(8-6-2)10(3)14/h14-15H,5-9H2,1-4H3/b13-12-,14-10+,15-11+
InChIKeyQRGPLRFOHIKFBQ-SWCQDDKCSA-N
XLogP4.35
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-2-methylcyclohex-2-en-1-imine
CID 90866592
2-Butyl-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 18620279
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
2,3,5,6-Tetramethylcyclohexa-2,5-diene-1,4-diimine
CID 57128446
2-Hexylcyclohexa-2,5-diene-1,4-diimine
CID 70145261
4-Ethyl-3-methylhex-3-en-2-imine
CID 88311275
(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038331
(2Z,5Z,9Z)-2,6,10-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038332
5,6-Dimethylcyclohex-5-ene-1,2,3,4-tetraimine
CID 89256639
2-Methylcyclohex-2-ene-1,4-diimine
CID 89546735
(6E)-2,6-dimethylocta-1,6-dien-3-imine
CID 89849288
8-Methylnon-7-en-2-imine
CID 90700434

Frequently Asked Questions

What is the IUPAC name of (Z)-3-butyl-4-propylhex-3-ene-2,5-diimine?
The IUPAC name of (Z)-3-butyl-4-propylhex-3-ene-2,5-diimine (CID 170596715) is (Z)-3-butyl-4-propylhex-3-ene-2,5-diimine.
What is the SMILES notation for (Z)-3-butyl-4-propylhex-3-ene-2,5-diimine?
The canonical SMILES for (Z)-3-butyl-4-propylhex-3-ene-2,5-diimine is [H]/N=C(C)/C(CCC)=C(CCCC)\C(C)=N\[H].
What is the InChIKey of (Z)-3-butyl-4-propylhex-3-ene-2,5-diimine?
The InChIKey is QRGPLRFOHIKFBQ-SWCQDDKCSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-7-9-13(11(4)15)12(8-6-2)10(3)14/h14-15H,5-9H2,1-4H3/b13-12-,14-10+,15-11+.
What are the key properties of (Z)-3-butyl-4-propylhex-3-ene-2,5-diimine?
(Z)-3-butyl-4-propylhex-3-ene-2,5-diimine has a molecular weight of 208.35 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-butyl-4-propylhex-3-ene-2,5-diimine is sourced from PubChem (CID 170596715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).