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

C13H22N2OS — CID 62385581

IUPACN-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccs1)C(CN)C1CCOCC1
InChIInChI=1S/C13H22N2OS/c1-15(10-12-3-2-8-17-12)13(9-14)11-4-6-16-7-5-11/h2-3,8,11,13H,4-7,9-10,14H2,1H3
InChIKeySELVJABOFAPWLP-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.93
Rot. Bonds5

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

N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62385581) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID62385581
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccs1)C(CN)C1CCOCC1
InChIInChI=1S/C13H22N2OS/c1-15(10-12-3-2-8-17-12)13(9-14)11-4-6-16-7-5-11/h2-3,8,11,13H,4-7,9-10,14H2,1H3
InChIKeySELVJABOFAPWLP-UHFFFAOYSA-N
XLogP1.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527381
N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 107132607
N-methyl-1-(oxan-4-yl)-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79476272
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385960
1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55034715
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55261914
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55066273
1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651199
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230
1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 79984334
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 62385581) is N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CN(Cc1cccs1)C(CN)C1CCOCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is SELVJABOFAPWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-15(10-12-3-2-8-17-12)13(9-14)11-4-6-16-7-5-11/h2-3,8,11,13H,4-7,9-10,14H2,1H3.
What are the key properties of N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 254.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62385581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).