1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine

C11H20N2S — CID 62421195

IUPAC1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
SMILESCNCCC(C)N(C)Cc1ccsc1
InChIInChI=1S/C11H20N2S/c1-10(4-6-12-2)13(3)8-11-5-7-14-9-11/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeyNIKDBFVGJPACGP-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.18
Rot. Bonds6

About 1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine

1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine (PubChem CID 62421195) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
PubChem CID62421195
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
SMILESCNCCC(C)N(C)Cc1ccsc1
InChIInChI=1S/C11H20N2S/c1-10(4-6-12-2)13(3)8-11-5-7-14-9-11/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeyNIKDBFVGJPACGP-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421944
4-N-methyl-1-N-propan-2-yl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 62421578
1-N-tert-butyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 62421750
(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 8925628
1-[3-[benzyl(methyl)amino]butyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111718990
2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
CID 60670408
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 43528180
3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 103225664
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 79407741
4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62411375

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine (CID 62421195) is 1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine is CNCCC(C)N(C)Cc1ccsc1.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The InChIKey is NIKDBFVGJPACGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-10(4-6-12-2)13(3)8-11-5-7-14-9-11/h5,7,9-10,12H,4,6,8H2,1-3H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 62421195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).