N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine

C16H30N2S — CID 55051725

IUPACN-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CNC2CC2)CCCCC1)C1CCSC1
InChIInChI=1S/C16H30N2S/c1-18(15-7-10-19-11-15)13-16(8-3-2-4-9-16)12-17-14-5-6-14/h14-15,17H,2-13H2,1H3
InChIKeyDWZPXLMFLWKVOT-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.13
Rot. Bonds6

About N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine

N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine (PubChem CID 55051725) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine
PubChem CID55051725
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CNC2CC2)CCCCC1)C1CCSC1
InChIInChI=1S/C16H30N2S/c1-18(15-7-10-19-11-15)13-16(8-3-2-4-9-16)12-17-14-5-6-14/h14-15,17H,2-13H2,1H3
InChIKeyDWZPXLMFLWKVOT-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine (CID 55051725) is N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine is CN(CC1(CNC2CC2)CCCCC1)C1CCSC1.
What is the InChIKey of N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine?
The InChIKey is DWZPXLMFLWKVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-18(15-7-10-19-11-15)13-16(8-3-2-4-9-16)12-17-14-5-6-14/h14-15,17H,2-13H2,1H3.
What are the key properties of N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine?
N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine has a molecular weight of 282.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 55051725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).