N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine

C11H21NS — CID 102672499

IUPACN-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine
SMILESCCC1(CNC2CCSC2C)CC1
InChIInChI=1S/C11H21NS/c1-3-11(5-6-11)8-12-10-4-7-13-9(10)2/h9-10,12H,3-8H2,1-2H3
InChIKeyZNOZPJXYCLXQRA-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.66
Rot. Bonds4

About N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine

N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine (PubChem CID 102672499) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine
PubChem CID102672499
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine
SMILESCCC1(CNC2CCSC2C)CC1
InChIInChI=1S/C11H21NS/c1-3-11(5-6-11)8-12-10-4-7-13-9(10)2/h9-10,12H,3-8H2,1-2H3
InChIKeyZNOZPJXYCLXQRA-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]-2-methylcyclohexan-1-amine
CID 115892730
2-methyl-N-[(2-methylcyclopropyl)methyl]thiolan-3-amine
CID 102671571
2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine
CID 103529246
N',N'-diethyl-N-(2-methylthiolan-3-yl)propane-1,3-diamine
CID 102672813
2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine
CID 102671342
2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
CID 102672978
2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine
CID 102672329
N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115680355
N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine
CID 102671776
2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine
CID 130628513
N-[(1-ethylcyclopentyl)methyl]thian-3-amine
CID 115882236
N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102671868

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine (CID 102672499) is N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine is CCC1(CNC2CCSC2C)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine?
The InChIKey is ZNOZPJXYCLXQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-3-11(5-6-11)8-12-10-4-7-13-9(10)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine?
N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine has a molecular weight of 199.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-2-methylthiolan-3-amine is sourced from PubChem (CID 102672499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).