1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine

C15H28N2S — CID 79494868

IUPAC1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(C)CCc1cccs1
InChIInChI=1S/C15H28N2S/c1-6-13(12-16-15(2,3)4)17(5)10-9-14-8-7-11-18-14/h7-8,11,13,16H,6,9-10,12H2,1-5H3
InChIKeyRANRYKFHGFXKDR-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.39
Rot. Bonds7

About 1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine

1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine (PubChem CID 79494868) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
PubChem CID79494868
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(C)CCc1cccs1
InChIInChI=1S/C15H28N2S/c1-6-13(12-16-15(2,3)4)17(5)10-9-14-8-7-11-18-14/h7-8,11,13,16H,6,9-10,12H2,1-5H3
InChIKeyRANRYKFHGFXKDR-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62463060
1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 55074145
1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79409024
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
CID 83054806
2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
CID 62424737
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine
CID 79486169
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
CID 79494469
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103225052

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine (CID 79494868) is 1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine is CCC(CNC(C)(C)C)N(C)CCc1cccs1.
What is the InChIKey of 1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine?
The InChIKey is RANRYKFHGFXKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-6-13(12-16-15(2,3)4)17(5)10-9-14-8-7-11-18-14/h7-8,11,13,16H,6,9-10,12H2,1-5H3.
What are the key properties of 1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine?
1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 79494868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).