(Z)-3-propan-2-ylhex-4-en-1-imine

C9H17N — CID 118687372

IUPAC(Z)-3-propan-2-ylhex-4-en-1-imine
SMILES[H]/N=C/CC(/C=C\C)C(C)C
InChIInChI=1S/C9H17N/c1-4-5-9(6-7-10)8(2)3/h4-5,7-10H,6H2,1-3H3/b5-4-,10-7+
InChIKeyIZSDBXUGDAHCBQ-DOIONKORSA-N
MW139.24 g/mol
LogP2.87
Rot. Bonds4

About (Z)-3-propan-2-ylhex-4-en-1-imine

(Z)-3-propan-2-ylhex-4-en-1-imine (PubChem CID 118687372) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (Z)-3-propan-2-ylhex-4-en-1-imine.

Molecular Properties

Compound Name(Z)-3-propan-2-ylhex-4-en-1-imine
PubChem CID118687372
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(Z)-3-propan-2-ylhex-4-en-1-imine
SMILES[H]/N=C/CC(/C=C\C)C(C)C
InChIInChI=1S/C9H17N/c1-4-5-9(6-7-10)8(2)3/h4-5,7-10H,6H2,1-3H3/b5-4-,10-7+
InChIKeyIZSDBXUGDAHCBQ-DOIONKORSA-N
XLogP2.87
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-propan-2-ylhex-4-en-1-imine?
The IUPAC name of (Z)-3-propan-2-ylhex-4-en-1-imine (CID 118687372) is (Z)-3-propan-2-ylhex-4-en-1-imine.
What is the SMILES notation for (Z)-3-propan-2-ylhex-4-en-1-imine?
The canonical SMILES for (Z)-3-propan-2-ylhex-4-en-1-imine is [H]/N=C/CC(/C=C\C)C(C)C.
What is the InChIKey of (Z)-3-propan-2-ylhex-4-en-1-imine?
The InChIKey is IZSDBXUGDAHCBQ-DOIONKORSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-9(6-7-10)8(2)3/h4-5,7-10H,6H2,1-3H3/b5-4-,10-7+.
What are the key properties of (Z)-3-propan-2-ylhex-4-en-1-imine?
(Z)-3-propan-2-ylhex-4-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-propan-2-ylhex-4-en-1-imine is sourced from PubChem (CID 118687372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).