N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine

C14H24N2OS — CID 55089246

IUPACN'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(c1cccs1)N(C)CCNCC1CCOC1
InChIInChI=1S/C14H24N2OS/c1-12(14-4-3-9-18-14)16(2)7-6-15-10-13-5-8-17-11-13/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyFZQXNFHOBGGIOC-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.37
Rot. Bonds7

About N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine

N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 55089246) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID55089246
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(c1cccs1)N(C)CCNCC1CCOC1
InChIInChI=1S/C14H24N2OS/c1-12(14-4-3-9-18-14)16(2)7-6-15-10-13-5-8-17-11-13/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyFZQXNFHOBGGIOC-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62384640
2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 104537883
N-(cyclohexylmethyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494082
N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102672384
2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol
CID 61020491
N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556118
N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63705847
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089294
N'-(4-ethylphenyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62553806
N-[(1S)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398144
N-[(1R)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398410
N'-butan-2-yl-N'-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 115685568

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 55089246) is N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine is CC(c1cccs1)N(C)CCNCC1CCOC1.
What is the InChIKey of N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is FZQXNFHOBGGIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-12(14-4-3-9-18-14)16(2)7-6-15-10-13-5-8-17-11-13/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3.
What are the key properties of N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 55089246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).