N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C16H26N2OS — CID 62390633

IUPACN-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCNCC1(CN(Cc2ccsc2)C2CC2)CCOCC1
InChIInChI=1S/C16H26N2OS/c1-17-12-16(5-7-19-8-6-16)13-18(15-2-3-15)10-14-4-9-20-11-14/h4,9,11,15,17H,2-3,5-8,10,12-13H2,1H3
InChIKeyIVGOXMNIYAMJCW-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.73
Rot. Bonds7

About N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 62390633) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID62390633
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCNCC1(CN(Cc2ccsc2)C2CC2)CCOCC1
InChIInChI=1S/C16H26N2OS/c1-17-12-16(5-7-19-8-6-16)13-18(15-2-3-15)10-14-4-9-20-11-14/h4,9,11,15,17H,2-3,5-8,10,12-13H2,1H3
InChIKeyIVGOXMNIYAMJCW-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 62719550
N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 63142695
2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392863
N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 63142747
N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392692
N-[[3-(methylaminomethyl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62435394
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 106906235
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262539
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 62390633) is N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is CNCC1(CN(Cc2ccsc2)C2CC2)CCOCC1.
What is the InChIKey of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is IVGOXMNIYAMJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-17-12-16(5-7-19-8-6-16)13-18(15-2-3-15)10-14-4-9-20-11-14/h4,9,11,15,17H,2-3,5-8,10,12-13H2,1H3.
What are the key properties of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 294.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 62390633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).