N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine

C16H28N2OS — CID 63741009

IUPACN-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)Cc2ccsc2)CCCOC1
InChIInChI=1S/C16H28N2OS/c1-14(2)17-11-16(6-4-7-19-13-16)12-18(3)9-15-5-8-20-10-15/h5,8,10,14,17H,4,6-7,9,11-13H2,1-3H3
InChIKeyCTSOZEHSXHQSGT-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.97
Rot. Bonds7

About N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine

N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine (PubChem CID 63741009) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
PubChem CID63741009
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)Cc2ccsc2)CCCOC1
InChIInChI=1S/C16H28N2OS/c1-14(2)17-11-16(6-4-7-19-13-16)12-18(3)9-15-5-8-20-10-15/h5,8,10,14,17H,4,6-7,9,11-13H2,1-3H3
InChIKeyCTSOZEHSXHQSGT-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55241090
N-[[1-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 62257148
2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392863
N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741934
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 65002220
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392692
N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 79486829
N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 62259646
2-methyl-N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63739960
5-[methyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]pentan-1-ol
CID 107204713
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392031

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine (CID 63741009) is N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN(C)Cc2ccsc2)CCCOC1.
What is the InChIKey of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine?
The InChIKey is CTSOZEHSXHQSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-14(2)17-11-16(6-4-7-19-13-16)12-18(3)9-15-5-8-20-10-15/h5,8,10,14,17H,4,6-7,9,11-13H2,1-3H3.
What are the key properties of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine?
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63741009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).