1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine

C14H26N2OS — CID 81058853

IUPAC1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccs1)N(C)CCOC(C)C
InChIInChI=1S/C14H26N2OS/c1-5-12(15)14(13-7-6-10-18-13)16(4)8-9-17-11(2)3/h6-7,10-12,14H,5,8-9,15H2,1-4H3
InChIKeyKQRBADDUSADRJI-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.88
Rot. Bonds8

About 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine

1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine (PubChem CID 81058853) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
PubChem CID81058853
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccs1)N(C)CCOC(C)C
InChIInChI=1S/C14H26N2OS/c1-5-12(15)14(13-7-6-10-18-13)16(4)8-9-17-11(2)3/h6-7,10-12,14H,5,8-9,15H2,1-4H3
InChIKeyKQRBADDUSADRJI-UHFFFAOYSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine (CID 81058853) is 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine is CCC(N)C(c1cccs1)N(C)CCOC(C)C.
What is the InChIKey of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine?
The InChIKey is KQRBADDUSADRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-12(15)14(13-7-6-10-18-13)16(4)8-9-17-11(2)3/h6-7,10-12,14H,5,8-9,15H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine?
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine has a molecular weight of 270.44 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine is sourced from PubChem (CID 81058853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).