1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine

C10H22N2S — CID 79459469

IUPAC1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine
SMILESCSCCCNC1CCCC(N)C1
InChIInChI=1S/C10H22N2S/c1-13-7-3-6-12-10-5-2-4-9(11)8-10/h9-10,12H,2-8,11H2,1H3
InChIKeyFFCQHCKSBDOJED-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.60
Rot. Bonds5

About 1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine

1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine (PubChem CID 79459469) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine
PubChem CID79459469
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine
SMILESCSCCCNC1CCCC(N)C1
InChIInChI=1S/C10H22N2S/c1-13-7-3-6-12-10-5-2-4-9(11)8-10/h9-10,12H,2-8,11H2,1H3
InChIKeyFFCQHCKSBDOJED-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
1-N-propylcyclohexane-1,3-diamine
CID 22026573
1-N-(3-methoxypropyl)cyclohexane-1,3-diamine
CID 79458917
3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 115654251
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
3-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 103087761
6-[(3-aminocyclohexyl)amino]hexan-1-ol
CID 107848750
5-[(3-aminocyclohexyl)amino]pentan-1-ol
CID 107316668
5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
1-N-pent-4-ynylcyclohexane-1,3-diamine
CID 106220280
2-[(3-aminocyclohexyl)amino]ethanol
CID 79459217
1-N-(4-propan-2-yloxybutyl)cyclohexane-1,3-diamine
CID 106007565

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine (CID 79459469) is 1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine is CSCCCNC1CCCC(N)C1.
What is the InChIKey of 1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine?
The InChIKey is FFCQHCKSBDOJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-13-7-3-6-12-10-5-2-4-9(11)8-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine?
1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79459469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).