1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine

C13H24N2S — CID 82916870

IUPAC1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine
SMILESC1CSCC(CN(CC2CC2)CC2CC2)N1
InChIInChI=1S/C13H24N2S/c1-2-11(1)7-15(8-12-3-4-12)9-13-10-16-6-5-14-13/h11-14H,1-10H2
InChIKeyCDJMDDYUQBFGFF-UHFFFAOYSA-N
MW240.42 g/mol
LogP1.81
Rot. Bonds6

About 1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine

1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine (PubChem CID 82916870) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine
PubChem CID82916870
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine
SMILESC1CSCC(CN(CC2CC2)CC2CC2)N1
InChIInChI=1S/C13H24N2S/c1-2-11(1)7-15(8-12-3-4-12)9-13-10-16-6-5-14-13/h11-14H,1-10H2
InChIKeyCDJMDDYUQBFGFF-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82915861
3-(bromomethyl)thiomorpholine
CID 119096156
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CID 68605296
1-cyclopropyl-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916645
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine
CID 82917200
N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
CID 103339487
cyclopropylmethyl 2-thiomorpholin-3-ylacetate
CID 66445671
N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82916858
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916840
2-(thiolan-3-ylmethyl)pyrrolidine
CID 82653355
N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine
CID 66422522

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine (CID 82916870) is 1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine is C1CSCC(CN(CC2CC2)CC2CC2)N1.
What is the InChIKey of 1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine?
The InChIKey is CDJMDDYUQBFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-2-11(1)7-15(8-12-3-4-12)9-13-10-16-6-5-14-13/h11-14H,1-10H2.
What are the key properties of 1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine?
1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine has a molecular weight of 240.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine is sourced from PubChem (CID 82916870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).