2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine

C16H25NS — CID 79228382

IUPAC2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCSc2ccccc2)CC1
InChIInChI=1S/C16H25NS/c1-14(2)12-17-13-16(8-9-16)10-11-18-15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3
InChIKeyBYNIYMBHNOJEFT-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.19
Rot. Bonds8

About 2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine

2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 79228382) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine
PubChem CID79228382
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCSc2ccccc2)CC1
InChIInChI=1S/C16H25NS/c1-14(2)12-17-13-16(8-9-16)10-11-18-15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3
InChIKeyBYNIYMBHNOJEFT-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine (CID 79228382) is 2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine is CC(C)CNCC1(CCSc2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is BYNIYMBHNOJEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-14(2)12-17-13-16(8-9-16)10-11-18-15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 79228382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).