N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

C15H26N2OS — CID 63705847

IUPACN'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(NCCN(C)CC1CCOCC1)c1cccs1
InChIInChI=1S/C15H26N2OS/c1-13(15-4-3-11-19-15)16-7-8-17(2)12-14-5-9-18-10-6-14/h3-4,11,13-14,16H,5-10,12H2,1-2H3
InChIKeyCVWMVSLJDZEQMD-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.76
Rot. Bonds7

About N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 63705847) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID63705847
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(NCCN(C)CC1CCOCC1)c1cccs1
InChIInChI=1S/C15H26N2OS/c1-13(15-4-3-11-19-15)16-7-8-17(2)12-14-5-9-18-10-6-14/h3-4,11,13-14,16H,5-10,12H2,1-2H3
InChIKeyCVWMVSLJDZEQMD-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556875
N'-cyclopentyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574004
N'-(4-ethylcyclohexyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556346
(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine
CID 95767529
N'-methyl-N-(1-thiophen-2-ylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62561217
N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62573937
N'-(furan-2-ylmethyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62560949
N'-cyclohexyl-N'-methyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 54880288
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557588
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574524
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089246
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 63705847) is N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is CC(NCCN(C)CC1CCOCC1)c1cccs1.
What is the InChIKey of N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is CVWMVSLJDZEQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-13(15-4-3-11-19-15)16-7-8-17(2)12-14-5-9-18-10-6-14/h3-4,11,13-14,16H,5-10,12H2,1-2H3.
What are the key properties of N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 282.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63705847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).