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

C14H26N2S — CID 62421944

IUPAC1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
SMILESCC(CCNC(C)(C)C)N(C)Cc1ccsc1
InChIInChI=1S/C14H26N2S/c1-12(6-8-15-14(2,3)4)16(5)10-13-7-9-17-11-13/h7,9,11-12,15H,6,8,10H2,1-5H3
InChIKeyLHXGGPBJRYGXSP-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.35
Rot. Bonds6

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

1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine (PubChem CID 62421944) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
PubChem CID62421944
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
SMILESCC(CCNC(C)(C)C)N(C)Cc1ccsc1
InChIInChI=1S/C14H26N2S/c1-12(6-8-15-14(2,3)4)16(5)10-13-7-9-17-11-13/h7,9,11-12,15H,6,8,10H2,1-5H3
InChIKeyLHXGGPBJRYGXSP-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-tert-butyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 62421750
1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421195
4-N-methyl-1-N-propan-2-yl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 62421578
1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
CID 55072438
1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine
CID 62412171
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258544
1-[3-[benzyl(methyl)amino]butyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111718990
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
CID 60670408
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694
2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62422105

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine (CID 62421944) is 1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine is CC(CCNC(C)(C)C)N(C)Cc1ccsc1.
What is the InChIKey of 1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The InChIKey is LHXGGPBJRYGXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-12(6-8-15-14(2,3)4)16(5)10-13-7-9-17-11-13/h7,9,11-12,15H,6,8,10H2,1-5H3.
What are the key properties of 1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.35, 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-(thiophen-3-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 62421944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).