N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine

C13H24N2S — CID 115716392

IUPACN'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine
SMILESCCC(C)N(C)CCNC(C)c1ccsc1
InChIInChI=1S/C13H24N2S/c1-5-11(2)15(4)8-7-14-12(3)13-6-9-16-10-13/h6,9-12,14H,5,7-8H2,1-4H3
InChIKeyXFCYYTXTAZRTMP-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.13
Rot. Bonds7

About N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine

N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine (PubChem CID 115716392) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine
PubChem CID115716392
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine
SMILESCCC(C)N(C)CCNC(C)c1ccsc1
InChIInChI=1S/C13H24N2S/c1-5-11(2)15(4)8-7-14-12(3)13-6-9-16-10-13/h6,9-12,14H,5,7-8H2,1-4H3
InChIKeyXFCYYTXTAZRTMP-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-N-(1-thiophen-3-ylethyl)propane-1,3-diamine
CID 53274606
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
4-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]benzonitrile
CID 103921220
N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62560168
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
CID 95167795
N'-butan-2-yl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103729552
3-propan-2-yloxy-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089262
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
CID 62089117
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
CID 112568339
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine (CID 115716392) is N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine is CCC(C)N(C)CCNC(C)c1ccsc1.
What is the InChIKey of N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine?
The InChIKey is XFCYYTXTAZRTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-11(2)15(4)8-7-14-12(3)13-6-9-16-10-13/h6,9-12,14H,5,7-8H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 115716392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).