N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine

C14H24N2OS — CID 62384640

IUPACN,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCC1CCOCC1)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-16(2)13(14-4-3-9-18-14)11-15-10-12-5-7-17-8-6-12/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyBKMSKHQQRVOQMZ-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.37
Rot. Bonds6

About N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 62384640) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID62384640
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCC1CCOCC1)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-16(2)13(14-4-3-9-18-14)11-15-10-12-5-7-17-8-6-12/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyBKMSKHQQRVOQMZ-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine (CID 62384640) is N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine is CN(C)C(CNCC1CCOCC1)c1cccs1.
What is the InChIKey of N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is BKMSKHQQRVOQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-16(2)13(14-4-3-9-18-14)11-15-10-12-5-7-17-8-6-12/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 62384640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).