(Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine

C10H20N2 — CID 89002637

IUPAC(Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine
SMILESC/N=C/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-7(2)9(6-12-5)10(11)8(3)4/h6-8H,11H2,1-5H3/b10-9+,12-6+
InChIKeyCYYYQBJSXXWHKS-AYCKBHPDSA-N
MW168.28 g/mol
LogP2.21
Rot. Bonds3

About (Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine

(Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine (PubChem CID 89002637) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine
PubChem CID89002637
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine
SMILESC/N=C/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-7(2)9(6-12-5)10(11)8(3)4/h6-8H,11H2,1-5H3/b10-9+,12-6+
InChIKeyCYYYQBJSXXWHKS-AYCKBHPDSA-N
XLogP2.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine?
The IUPAC name of (Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine (CID 89002637) is (Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine.
What is the SMILES notation for (Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine?
The canonical SMILES for (Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine is C/N=C/C(=C(\N)C(C)C)C(C)C.
What is the InChIKey of (Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine?
The InChIKey is CYYYQBJSXXWHKS-AYCKBHPDSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(2)9(6-12-5)10(11)8(3)4/h6-8H,11H2,1-5H3/b10-9+,12-6+.
What are the key properties of (Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine?
(Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine has a molecular weight of 168.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine is sourced from PubChem (CID 89002637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).