2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine

C16H30N2S — CID 79069073

IUPAC2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine
SMILESCCNC(Cc1ccsc1)C(C)(CC)N(CC)CC
InChIInChI=1S/C16H30N2S/c1-6-16(5,18(8-3)9-4)15(17-7-2)12-14-10-11-19-13-14/h10-11,13,15,17H,6-9,12H2,1-5H3
InChIKeyLWMXDKARZMXRIN-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.78
Rot. Bonds9

About 2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine

2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine (PubChem CID 79069073) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine
PubChem CID79069073
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine
SMILESCCNC(Cc1ccsc1)C(C)(CC)N(CC)CC
InChIInChI=1S/C16H30N2S/c1-6-16(5,18(8-3)9-4)15(17-7-2)12-14-10-11-19-13-14/h10-11,13,15,17H,6-9,12H2,1-5H3
InChIKeyLWMXDKARZMXRIN-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine
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2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid
CID 84752460
3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine
CID 116758877
1-(4-bromophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064098
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine
CID 79045793
N-ethyl-1-methoxy-3-thiophen-3-ylpropan-2-amine
CID 62604477
1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 106657196
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine
CID 79989059
4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
CID 105137654

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine?
The IUPAC name of 2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine (CID 79069073) is 2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine.
What is the SMILES notation for 2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine?
The canonical SMILES for 2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine is CCNC(Cc1ccsc1)C(C)(CC)N(CC)CC.
What is the InChIKey of 2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine?
The InChIKey is LWMXDKARZMXRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-6-16(5,18(8-3)9-4)15(17-7-2)12-14-10-11-19-13-14/h10-11,13,15,17H,6-9,12H2,1-5H3.
What are the key properties of 2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine?
2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine has a molecular weight of 282.50 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine is sourced from PubChem (CID 79069073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).