1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine

C15H28N2S — CID 62431010

IUPAC1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine
SMILESCC(CCNC(C)(C)C)N(C)C(C)c1cccs1
InChIInChI=1S/C15H28N2S/c1-12(9-10-16-15(3,4)5)17(6)13(2)14-8-7-11-18-14/h7-8,11-13,16H,9-10H2,1-6H3
InChIKeyCKWDVEGAYDZDOF-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.91
Rot. Bonds6

About 1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine

1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine (PubChem CID 62431010) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine
PubChem CID62431010
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine
SMILESCC(CCNC(C)(C)C)N(C)C(C)c1cccs1
InChIInChI=1S/C15H28N2S/c1-12(9-10-16-15(3,4)5)17(6)13(2)14-8-7-11-18-14/h7-8,11-13,16H,9-10H2,1-6H3
InChIKeyCKWDVEGAYDZDOF-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-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,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317503
2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine
CID 83055013
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 63071477
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257313
2-(ethylamino)-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62834566
N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62430658
1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421944
2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431007
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62570167

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine?
The IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine (CID 62431010) is 1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine is CC(CCNC(C)(C)C)N(C)C(C)c1cccs1.
What is the InChIKey of 1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine?
The InChIKey is CKWDVEGAYDZDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-12(9-10-16-15(3,4)5)17(6)13(2)14-8-7-11-18-14/h7-8,11-13,16H,9-10H2,1-6H3.
What are the key properties of 1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine?
1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine is sourced from PubChem (CID 62431010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).