N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine

C13H25NS — CID 105152948

IUPACN-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)C1(C)CCCS1
InChIInChI=1S/C13H25NS/c1-3-8-14-12(10-11-5-6-11)13(2)7-4-9-15-13/h11-12,14H,3-10H2,1-2H3
InChIKeyJXTIIXOFJWOIEV-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds6

About N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine

N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine (PubChem CID 105152948) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
PubChem CID105152948
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)C1(C)CCCS1
InChIInChI=1S/C13H25NS/c1-3-8-14-12(10-11-5-6-11)13(2)7-4-9-15-13/h11-12,14H,3-10H2,1-2H3
InChIKeyJXTIIXOFJWOIEV-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylthiolan-2-yl)-N-propylhex-4-yn-1-amine
CID 105181599
4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine
CID 105152690
[3-cyclopropyl-1-(2-methylthiolan-2-yl)propyl]hydrazine
CID 105315206
1-(2-methylthiolan-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 105139897
N-[2-(2,4-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105117632
2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol
CID 105090438
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105181053
N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine
CID 105129851
N-[(3-cyclobutylphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105189636
1-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069853
N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105189092
N-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105157626

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine (CID 105152948) is N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine is CCCNC(CC1CC1)C1(C)CCCS1.
What is the InChIKey of N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine?
The InChIKey is JXTIIXOFJWOIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-3-8-14-12(10-11-5-6-11)13(2)7-4-9-15-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine?
N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105152948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).