N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine

C11H23NS — CID 115716177

IUPACN-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine
SMILESCSC(C)CCNC(C)C1(C)CC1
InChIInChI=1S/C11H23NS/c1-9(13-4)5-8-12-10(2)11(3)6-7-11/h9-10,12H,5-8H2,1-4H3
InChIKeyQDSLVTBOBHCYPI-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds6

About N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine

N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine (PubChem CID 115716177) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine
PubChem CID115716177
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine
SMILESCSC(C)CCNC(C)C1(C)CC1
InChIInChI=1S/C11H23NS/c1-9(13-4)5-8-12-10(2)11(3)6-7-11/h9-10,12H,5-8H2,1-4H3
InChIKeyQDSLVTBOBHCYPI-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine 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

1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981997
N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine
CID 104537205
3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile
CID 43363289
2-methyl-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 43173428
2-N-(3-methylsulfanylbutyl)propane-1,2-diamine
CID 103391056
N-[2-[1-(1-methylcyclopropyl)ethylamino]ethyl]acetamide
CID 43363271
N-(2-cyclobutylethyl)-1-(1-methylcyclopropyl)ethanamine
CID 115893413
2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate
CID 83211737
1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine
CID 115719252
1-(1-methylcyclopropyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 115893870
N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
CID 61022080
N'-cyclopentyl-N'-methyl-N-[1-(1-methylcyclopropyl)ethyl]ethane-1,2-diamine
CID 63314802

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine (CID 115716177) is N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine is CSC(C)CCNC(C)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine?
The InChIKey is QDSLVTBOBHCYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(13-4)5-8-12-10(2)11(3)6-7-11/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine?
N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine is sourced from PubChem (CID 115716177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).