3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine

C18H34N2S — CID 79060124

IUPAC3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine
SMILESCCc1ccc(CC(NC)C(CC)(CC)N(CC)CC)s1
InChIInChI=1S/C18H34N2S/c1-7-15-12-13-16(21-15)14-17(19-6)18(8-2,9-3)20(10-4)11-5/h12-13,17,19H,7-11,14H2,1-6H3
InChIKeyOLQCZVGDWMGYMJ-UHFFFAOYSA-N
MW310.55 g/mol
LogP4.34
Rot. Bonds10

About 3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine

3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine (PubChem CID 79060124) has the molecular formula C18H34N2S and a molecular weight of 310.55 g/mol. Its IUPAC name is 3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine
PubChem CID79060124
Molecular FormulaC18H34N2S
Molecular Weight310.55 g/mol
Exact Mass310.24
IUPAC Name3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine
SMILESCCc1ccc(CC(NC)C(CC)(CC)N(CC)CC)s1
InChIInChI=1S/C18H34N2S/c1-7-15-12-13-16(21-15)14-17(19-6)18(8-2,9-3)20(10-4)11-5/h12-13,17,19H,7-11,14H2,1-6H3
InChIKeyOLQCZVGDWMGYMJ-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79068987
[3-(5-ethylthiophen-2-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215725
1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068652
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79062445
2-N-ethyl-1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052816
4-N,4-N,4-triethyl-3-N-methyl-1-phenylhexane-3,4-diamine
CID 79060132
1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
CID 115842630
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol
CID 79061202
2,5-diethylthiophene
CID 521294
1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine
CID 104803000
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053636

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine?
The IUPAC name of 3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine (CID 79060124) is 3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine.
What is the SMILES notation for 3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine?
The canonical SMILES for 3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine is CCc1ccc(CC(NC)C(CC)(CC)N(CC)CC)s1.
What is the InChIKey of 3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine?
The InChIKey is OLQCZVGDWMGYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2S/c1-7-15-12-13-16(21-15)14-17(19-6)18(8-2,9-3)20(10-4)11-5/h12-13,17,19H,7-11,14H2,1-6H3.
What are the key properties of 3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine?
3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine has a molecular weight of 310.55 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine is sourced from PubChem (CID 79060124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).