(Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine

C7H17N3S — CID 118617242

IUPAC(Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine
SMILESCN/C(=C\SCN)CN(C)C
InChIInChI=1S/C7H17N3S/c1-9-7(4-10(2)3)5-11-6-8/h5,9H,4,6,8H2,1-3H3/b7-5-
InChIKeyBZTCCJOMFPFFMF-ALCCZGGFSA-N
MW175.30 g/mol
LogP0.26
Rot. Bonds5

About (Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine

(Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine (PubChem CID 118617242) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is (Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine
PubChem CID118617242
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC Name(Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine
SMILESCN/C(=C\SCN)CN(C)C
InChIInChI=1S/C7H17N3S/c1-9-7(4-10(2)3)5-11-6-8/h5,9H,4,6,8H2,1-3H3/b7-5-
InChIKeyBZTCCJOMFPFFMF-ALCCZGGFSA-N
XLogP0.26
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine 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)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine?
The IUPAC name of (Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine (CID 118617242) is (Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine?
The canonical SMILES for (Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine is CN/C(=C\SCN)CN(C)C.
What is the InChIKey of (Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine?
The InChIKey is BZTCCJOMFPFFMF-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H17N3S/c1-9-7(4-10(2)3)5-11-6-8/h5,9H,4,6,8H2,1-3H3/b7-5-.
What are the key properties of (Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine?
(Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine has a molecular weight of 175.30 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine is sourced from PubChem (CID 118617242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).