(Z)-N-propan-2-ylpent-2-ene-1,5-diimine

C8H14N2 — CID 123230561

IUPAC(Z)-N-propan-2-ylpent-2-ene-1,5-diimine
SMILES[H]/N=C/C/C=C\C=N\C(C)C
InChIInChI=1S/C8H14N2/c1-8(2)10-7-5-3-4-6-9/h3,5-9H,4H2,1-2H3/b5-3-,9-6+,10-7+
InChIKeySOOUCSMFXIPHAC-TVAZVOFESA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds4

About (Z)-N-propan-2-ylpent-2-ene-1,5-diimine

(Z)-N-propan-2-ylpent-2-ene-1,5-diimine (PubChem CID 123230561) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-N-propan-2-ylpent-2-ene-1,5-diimine.

Molecular Properties

Compound Name(Z)-N-propan-2-ylpent-2-ene-1,5-diimine
PubChem CID123230561
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-N-propan-2-ylpent-2-ene-1,5-diimine
SMILES[H]/N=C/C/C=C\C=N\C(C)C
InChIInChI=1S/C8H14N2/c1-8(2)10-7-5-3-4-6-9/h3,5-9H,4H2,1-2H3/b5-3-,9-6+,10-7+
InChIKeySOOUCSMFXIPHAC-TVAZVOFESA-N
XLogP2.06
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine
CID 89251919
Pent-2-ene-1,5-diimine
CID 53718158
N-propylpent-2-en-1-imine
CID 57277336
2,6-Dihydroazepin-3-imine
CID 57316147
(Z)-pent-2-ene-1,4-diimine
CID 59089718
N-propan-2-yl-2H-pyridin-3-imine
CID 69530945
N,N'-dimethylpent-2-ene-1,5-diimine
CID 85959556
(2Z,5Z)-N-ethylhepta-2,5-dien-1-imine
CID 87527289
(Z)-hex-2-ene-1,4-diimine
CID 88171021
2,3-Dihydropyridin-2-ylmethanimine
CID 89629597
(Z)-4-N-methylpent-2-ene-1,4-diimine
CID 90308470
3,3-dimethyl-2H-azepin-6-imine
CID 90915516

Frequently Asked Questions

What is the IUPAC name of (Z)-N-propan-2-ylpent-2-ene-1,5-diimine?
The IUPAC name of (Z)-N-propan-2-ylpent-2-ene-1,5-diimine (CID 123230561) is (Z)-N-propan-2-ylpent-2-ene-1,5-diimine.
What is the SMILES notation for (Z)-N-propan-2-ylpent-2-ene-1,5-diimine?
The canonical SMILES for (Z)-N-propan-2-ylpent-2-ene-1,5-diimine is [H]/N=C/C/C=C\C=N\C(C)C.
What is the InChIKey of (Z)-N-propan-2-ylpent-2-ene-1,5-diimine?
The InChIKey is SOOUCSMFXIPHAC-TVAZVOFESA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2)10-7-5-3-4-6-9/h3,5-9H,4H2,1-2H3/b5-3-,9-6+,10-7+.
What are the key properties of (Z)-N-propan-2-ylpent-2-ene-1,5-diimine?
(Z)-N-propan-2-ylpent-2-ene-1,5-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propan-2-ylpent-2-ene-1,5-diimine is sourced from PubChem (CID 123230561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).