2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C13H24N2O2S — CID 66180831

IUPAC2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCN(Cc1cccs1)C(C)(CN)C(OC)OC
InChIInChI=1S/C13H24N2O2S/c1-5-15(9-11-7-6-8-18-11)13(2,10-14)12(16-3)17-4/h6-8,12H,5,9-10,14H2,1-4H3
InChIKeyPDDHPEALPZSABB-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.91
Rot. Bonds8

About 2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 66180831) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID66180831
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCN(Cc1cccs1)C(C)(CN)C(OC)OC
InChIInChI=1S/C13H24N2O2S/c1-5-15(9-11-7-6-8-18-11)13(2,10-14)12(16-3)17-4/h6-8,12H,5,9-10,14H2,1-4H3
InChIKeyPDDHPEALPZSABB-UHFFFAOYSA-N
XLogP1.91
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 116535202
2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 61437250
4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine
CID 79068897
2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
CID 114275023
3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol
CID 79063568
3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 113489960
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol
CID 116752710
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55034715
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
2-methyl-2-(thiophen-2-ylmethoxy)propan-1-amine
CID 62354417

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 66180831) is 2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CCN(Cc1cccs1)C(C)(CN)C(OC)OC.
What is the InChIKey of 2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is PDDHPEALPZSABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-5-15(9-11-7-6-8-18-11)13(2,10-14)12(16-3)17-4/h6-8,12H,5,9-10,14H2,1-4H3.
What are the key properties of 2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 272.41 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 66180831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).