N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine

C18H27NS — CID 105189092

IUPACN-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CC1c1ccccc1)C1(C)CCCS1
InChIInChI=1S/C18H27NS/c1-3-11-19-17(18(2)10-7-12-20-18)16-13-15(16)14-8-5-4-6-9-14/h4-6,8-9,15-17,19H,3,7,10-13H2,1-2H3
InChIKeyIQMUOSJEGONSTF-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.44
Rot. Bonds6

About N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine

N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 105189092) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID105189092
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC NameN-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CC1c1ccccc1)C1(C)CCCS1
InChIInChI=1S/C18H27NS/c1-3-11-19-17(18(2)10-7-12-20-18)16-13-15(16)14-8-5-4-6-9-14/h4-6,8-9,15-17,19H,3,7,10-13H2,1-2H3
InChIKeyIQMUOSJEGONSTF-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 105100681
1-(2-methylthiolan-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 105139897
N-[(3-cyclobutylphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105189636
N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052510
N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
[(1-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 106831395
2-(2-phenylcyclopropyl)-N-propylbutan-1-amine
CID 116518006
N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105152948
N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
CID 116517734
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271
N,N-dimethyl-1-[methylamino-(2-phenylcyclopropyl)methyl]cyclopentan-1-amine
CID 116517695
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (CID 105189092) is N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine is CCCNC(C1CC1c1ccccc1)C1(C)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is IQMUOSJEGONSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-3-11-19-17(18(2)10-7-12-20-18)16-13-15(16)14-8-5-4-6-9-14/h4-6,8-9,15-17,19H,3,7,10-13H2,1-2H3.
What are the key properties of N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 105189092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).