(Z)-5-methylhex-2-en-1-imine

C7H13N — CID 121263554

IUPAC(Z)-5-methylhex-2-en-1-imine
SMILES[H]/N=C/C=C\CC(C)C
InChIInChI=1S/C7H13N/c1-7(2)5-3-4-6-8/h3-4,6-8H,5H2,1-2H3/b4-3-,8-6+
InChIKeyFBTXNALUKBJIJA-OONGGIDMSA-N
MW111.19 g/mol
LogP2.24
Rot. Bonds3

About (Z)-5-methylhex-2-en-1-imine

(Z)-5-methylhex-2-en-1-imine (PubChem CID 121263554) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (Z)-5-methylhex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-5-methylhex-2-en-1-imine
PubChem CID121263554
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(Z)-5-methylhex-2-en-1-imine
SMILES[H]/N=C/C=C\CC(C)C
InChIInChI=1S/C7H13N/c1-7(2)5-3-4-6-8/h3-4,6-8H,5H2,1-2H3/b4-3-,8-6+
InChIKeyFBTXNALUKBJIJA-OONGGIDMSA-N
XLogP2.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.24
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)-5-methylhex-2-en-1-imine?
The IUPAC name of (Z)-5-methylhex-2-en-1-imine (CID 121263554) is (Z)-5-methylhex-2-en-1-imine.
What is the SMILES notation for (Z)-5-methylhex-2-en-1-imine?
The canonical SMILES for (Z)-5-methylhex-2-en-1-imine is [H]/N=C/C=C\CC(C)C.
What is the InChIKey of (Z)-5-methylhex-2-en-1-imine?
The InChIKey is FBTXNALUKBJIJA-OONGGIDMSA-N. The full InChI is InChI=1S/C7H13N/c1-7(2)5-3-4-6-8/h3-4,6-8H,5H2,1-2H3/b4-3-,8-6+.
What are the key properties of (Z)-5-methylhex-2-en-1-imine?
(Z)-5-methylhex-2-en-1-imine has a molecular weight of 111.19 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methylhex-2-en-1-imine is sourced from PubChem (CID 121263554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).