4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine

C15H28N2S — CID 79068897

IUPAC4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine
SMILESCCN(CC)C(C)(CC)C(N)CCc1cccs1
InChIInChI=1S/C15H28N2S/c1-5-15(4,17(6-2)7-3)14(16)11-10-13-9-8-12-18-13/h8-9,12,14H,5-7,10-11,16H2,1-4H3
InChIKeyMIVOHZZUVXDOMB-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.52
Rot. Bonds8

About 4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine

4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine (PubChem CID 79068897) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine
PubChem CID79068897
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine
SMILESCCN(CC)C(C)(CC)C(N)CCc1cccs1
InChIInChI=1S/C15H28N2S/c1-5-15(4,17(6-2)7-3)14(16)11-10-13-9-8-12-18-13/h8-9,12,14H,5-7,10-11,16H2,1-4H3
InChIKeyMIVOHZZUVXDOMB-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol
CID 79063568
4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine
CID 79056548
2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 66180831
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 115346068
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
1-(2-methylcyclopropyl)-3-thiophen-2-ylpropan-1-amine
CID 65422765
4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol
CID 63773505
7-thiophen-2-ylheptan-3-amine
CID 64505571
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
1-(2-chlorophenyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068977
4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol
CID 116752710
1-(1-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 115860707

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine (CID 79068897) is 4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine is CCN(CC)C(C)(CC)C(N)CCc1cccs1.
What is the InChIKey of 4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine?
The InChIKey is MIVOHZZUVXDOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-15(4,17(6-2)7-3)14(16)11-10-13-9-8-12-18-13/h8-9,12,14H,5-7,10-11,16H2,1-4H3.
What are the key properties of 4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine?
4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine is sourced from PubChem (CID 79068897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).