(Z)-4-ethyl-2-methylhept-4-en-3-imine

C10H19N — CID 176962645

IUPAC(Z)-4-ethyl-2-methylhept-4-en-3-imine
SMILES[H]/N=C(C(=C\CC)/CC)\C(C)C
InChIInChI=1S/C10H19N/c1-5-7-9(6-2)10(11)8(3)4/h7-8,11H,5-6H2,1-4H3/b9-7-,11-10+
InChIKeyBYWHDSBZPLNKRP-NKTIYDDZSA-N
MW153.27 g/mol
LogP3.41
Rot. Bonds4

About (Z)-4-ethyl-2-methylhept-4-en-3-imine

(Z)-4-ethyl-2-methylhept-4-en-3-imine (PubChem CID 176962645) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (Z)-4-ethyl-2-methylhept-4-en-3-imine.

Molecular Properties

Compound Name(Z)-4-ethyl-2-methylhept-4-en-3-imine
PubChem CID176962645
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(Z)-4-ethyl-2-methylhept-4-en-3-imine
SMILES[H]/N=C(C(=C\CC)/CC)\C(C)C
InChIInChI=1S/C10H19N/c1-5-7-9(6-2)10(11)8(3)4/h7-8,11H,5-6H2,1-4H3/b9-7-,11-10+
InChIKeyBYWHDSBZPLNKRP-NKTIYDDZSA-N
XLogP3.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethyl-2-methylhept-4-en-3-imine?
The IUPAC name of (Z)-4-ethyl-2-methylhept-4-en-3-imine (CID 176962645) is (Z)-4-ethyl-2-methylhept-4-en-3-imine.
What is the SMILES notation for (Z)-4-ethyl-2-methylhept-4-en-3-imine?
The canonical SMILES for (Z)-4-ethyl-2-methylhept-4-en-3-imine is [H]/N=C(C(=C\CC)/CC)\C(C)C.
What is the InChIKey of (Z)-4-ethyl-2-methylhept-4-en-3-imine?
The InChIKey is BYWHDSBZPLNKRP-NKTIYDDZSA-N. The full InChI is InChI=1S/C10H19N/c1-5-7-9(6-2)10(11)8(3)4/h7-8,11H,5-6H2,1-4H3/b9-7-,11-10+.
What are the key properties of (Z)-4-ethyl-2-methylhept-4-en-3-imine?
(Z)-4-ethyl-2-methylhept-4-en-3-imine has a molecular weight of 153.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-2-methylhept-4-en-3-imine is sourced from PubChem (CID 176962645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).