2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine

C16H30N2S — CID 83054806

IUPAC2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)CCc1cccs1
InChIInChI=1S/C16H30N2S/c1-5-7-15(13-17-12-14(2)3)18(4)10-9-16-8-6-11-19-16/h6,8,11,14-15,17H,5,7,9-10,12-13H2,1-4H3
InChIKeyBUDZCKWTHVCCAR-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.64
Rot. Bonds10

About 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine

2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine (PubChem CID 83054806) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
PubChem CID83054806
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)CCc1cccs1
InChIInChI=1S/C16H30N2S/c1-5-7-15(13-17-12-14(2)3)18(4)10-9-16-8-6-11-19-16/h6,8,11,14-15,17H,5,7,9-10,12-13H2,1-4H3
InChIKeyBUDZCKWTHVCCAR-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
CID 79494469
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 83042410
2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
CID 79476641
1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79494868
N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine
CID 79494543
2-N-[(3-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054284
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054328
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 63773755
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 83054060

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine (CID 83054806) is 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine is CCCC(CNCC(C)C)N(C)CCc1cccs1.
What is the InChIKey of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine?
The InChIKey is BUDZCKWTHVCCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-5-7-15(13-17-12-14(2)3)18(4)10-9-16-8-6-11-19-16/h6,8,11,14-15,17H,5,7,9-10,12-13H2,1-4H3.
What are the key properties of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine?
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine has a molecular weight of 282.50 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine is sourced from PubChem (CID 83054806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).