(Z)-4-(methyliminomethyl)hex-3-en-3-amine

C8H16N2 — CID 90299196

IUPAC(Z)-4-(methyliminomethyl)hex-3-en-3-amine
SMILESCC/C(N)=C(/C=N/C)CC
InChIInChI=1S/C8H16N2/c1-4-7(6-10-3)8(9)5-2/h6H,4-5,9H2,1-3H3/b8-7-,10-6+
InChIKeyHCIZNXSLQBAKQH-SDHBEMGISA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds3

About (Z)-4-(methyliminomethyl)hex-3-en-3-amine

(Z)-4-(methyliminomethyl)hex-3-en-3-amine (PubChem CID 90299196) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-4-(methyliminomethyl)hex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-4-(methyliminomethyl)hex-3-en-3-amine
PubChem CID90299196
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-4-(methyliminomethyl)hex-3-en-3-amine
SMILESCC/C(N)=C(/C=N/C)CC
InChIInChI=1S/C8H16N2/c1-4-7(6-10-3)8(9)5-2/h6H,4-5,9H2,1-3H3/b8-7-,10-6+
InChIKeyHCIZNXSLQBAKQH-SDHBEMGISA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(methyliminomethyl)hex-3-en-3-amine?
The IUPAC name of (Z)-4-(methyliminomethyl)hex-3-en-3-amine (CID 90299196) is (Z)-4-(methyliminomethyl)hex-3-en-3-amine.
What is the SMILES notation for (Z)-4-(methyliminomethyl)hex-3-en-3-amine?
The canonical SMILES for (Z)-4-(methyliminomethyl)hex-3-en-3-amine is CC/C(N)=C(/C=N/C)CC.
What is the InChIKey of (Z)-4-(methyliminomethyl)hex-3-en-3-amine?
The InChIKey is HCIZNXSLQBAKQH-SDHBEMGISA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7(6-10-3)8(9)5-2/h6H,4-5,9H2,1-3H3/b8-7-,10-6+.
What are the key properties of (Z)-4-(methyliminomethyl)hex-3-en-3-amine?
(Z)-4-(methyliminomethyl)hex-3-en-3-amine has a molecular weight of 140.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(methyliminomethyl)hex-3-en-3-amine is sourced from PubChem (CID 90299196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).