N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine

C14H22N2OS — CID 55069477

IUPACN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESNCC1CCC(CN(Cc2cccs2)C2CC2)O1
InChIInChI=1S/C14H22N2OS/c15-8-12-5-6-13(17-12)9-16(11-3-4-11)10-14-2-1-7-18-14/h1-2,7,11-13H,3-6,8-10,15H2
InChIKeyJAANDXSDBRSKFO-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.22
Rot. Bonds6

About N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine

N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine (PubChem CID 55069477) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
PubChem CID55069477
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESNCC1CCC(CN(Cc2cccs2)C2CC2)O1
InChIInChI=1S/C14H22N2OS/c15-8-12-5-6-13(17-12)9-16(11-3-4-11)10-14-2-1-7-18-14/h1-2,7,11-13H,3-6,8-10,15H2
InChIKeyJAANDXSDBRSKFO-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411164
[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
CID 62421915
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450995
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 62609943
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 65482513
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79912703
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 54948428
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 63655817

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine (CID 55069477) is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine is NCC1CCC(CN(Cc2cccs2)C2CC2)O1.
What is the InChIKey of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The InChIKey is JAANDXSDBRSKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c15-8-12-5-6-13(17-12)9-16(11-3-4-11)10-14-2-1-7-18-14/h1-2,7,11-13H,3-6,8-10,15H2.
What are the key properties of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine has a molecular weight of 266.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 55069477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).