N-(3-methylsulfanylpropyl)cyclopropanamine

C7H15NS — CID 28607191

IUPACN-(3-methylsulfanylpropyl)cyclopropanamine
SMILESCSCCCNC1CC1
InChIInChI=1S/C7H15NS/c1-9-6-2-5-8-7-3-4-7/h7-8H,2-6H2,1H3
InChIKeyMQIMAWYQSHGHFK-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.49
Rot. Bonds5

About N-(3-methylsulfanylpropyl)cyclopropanamine

N-(3-methylsulfanylpropyl)cyclopropanamine (PubChem CID 28607191) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)cyclopropanamine
PubChem CID28607191
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-(3-methylsulfanylpropyl)cyclopropanamine
SMILESCSCCCNC1CC1
InChIInChI=1S/C7H15NS/c1-9-6-2-5-8-7-3-4-7/h7-8H,2-6H2,1H3
InChIKeyMQIMAWYQSHGHFK-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-methylsulfanylpropyl)cyclopropanamine 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

4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
CID 28615263
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 104530252
N-(3-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 28717328
8-methyl-N-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63981872
N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112665474
1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine
CID 79459469
trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102733502
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
CID 115639158
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 63981661

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)cyclopropanamine?
The IUPAC name of N-(3-methylsulfanylpropyl)cyclopropanamine (CID 28607191) is N-(3-methylsulfanylpropyl)cyclopropanamine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)cyclopropanamine?
The canonical SMILES for N-(3-methylsulfanylpropyl)cyclopropanamine is CSCCCNC1CC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)cyclopropanamine?
The InChIKey is MQIMAWYQSHGHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-9-6-2-5-8-7-3-4-7/h7-8H,2-6H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)cyclopropanamine?
N-(3-methylsulfanylpropyl)cyclopropanamine has a molecular weight of 145.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)cyclopropanamine is sourced from PubChem (CID 28607191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).