N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine

C14H24N2OS — CID 63725566

IUPACN-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)CC2CCOCC2)s1
InChIInChI=1S/C14H24N2OS/c1-11-3-4-14(18-11)13(9-15)16(2)10-12-5-7-17-8-6-12/h3-4,12-13H,5-10,15H2,1-2H3
InChIKeyIHEGZJRBJRNRLE-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.41
Rot. Bonds5

About N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine

N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine (PubChem CID 63725566) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine
PubChem CID63725566
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)CC2CCOCC2)s1
InChIInChI=1S/C14H24N2OS/c1-11-3-4-14(18-11)13(9-15)16(2)10-12-5-7-17-8-6-12/h3-4,12-13H,5-10,15H2,1-2H3
InChIKeyIHEGZJRBJRNRLE-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 60984620
1-(2,3-dimethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63725960
1-(4-ethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63726473
1-(5-chlorothiophen-2-yl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 54983977
1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63896799
N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine
CID 43294656
N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 43264016
N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63726962
1-(3-chloro-2-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 114487930
1-(3-bromo-4-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 83231113
N-(3-methoxypropyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 62984095
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54983656

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine (CID 63725566) is N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine is Cc1ccc(C(CN)N(C)CC2CCOCC2)s1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is IHEGZJRBJRNRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11-3-4-14(18-11)13(9-15)16(2)10-12-5-7-17-8-6-12/h3-4,12-13H,5-10,15H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine?
N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63725566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).