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

C15H28N2S — CID 55051674

IUPACN-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CNC2CC2)CCCC1)C1CCSC1
InChIInChI=1S/C15H28N2S/c1-17(14-6-9-18-10-14)12-15(7-2-3-8-15)11-16-13-4-5-13/h13-14,16H,2-12H2,1H3
InChIKeyQIIJJFXZNFCXKI-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.74
Rot. Bonds6

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

N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine (PubChem CID 55051674) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine
PubChem CID55051674
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CNC2CC2)CCCC1)C1CCSC1
InChIInChI=1S/C15H28N2S/c1-17(14-6-9-18-10-14)12-15(7-2-3-8-15)11-16-13-4-5-13/h13-14,16H,2-12H2,1H3
InChIKeyQIIJJFXZNFCXKI-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.74
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]cyclopentyl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine (CID 55051674) is N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine is CN(CC1(CNC2CC2)CCCC1)C1CCSC1.
What is the InChIKey of N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine?
The InChIKey is QIIJJFXZNFCXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-17(14-6-9-18-10-14)12-15(7-2-3-8-15)11-16-13-4-5-13/h13-14,16H,2-12H2,1H3.
What are the key properties of N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine?
N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine has a molecular weight of 268.47 g/mol, XLogP of 2.74, 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]cyclopentyl]methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 55051674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).