N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine

C13H24N2S — CID 115715971

IUPACN'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
SMILESCC(Cc1ccsc1)NCCN(C)C(C)C
InChIInChI=1S/C13H24N2S/c1-11(2)15(4)7-6-14-12(3)9-13-5-8-16-10-13/h5,8,10-12,14H,6-7,9H2,1-4H3
InChIKeyJNPHNHODCKWGLZ-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.61
Rot. Bonds7

About N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine

N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine (PubChem CID 115715971) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
PubChem CID115715971
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
SMILESCC(Cc1ccsc1)NCCN(C)C(C)C
InChIInChI=1S/C13H24N2S/c1-11(2)15(4)7-6-14-12(3)9-13-5-8-16-10-13/h5,8,10-12,14H,6-7,9H2,1-4H3
InChIKeyJNPHNHODCKWGLZ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54956098
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
N-methyl-N-propan-2-yl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953332
1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961663
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115731927
(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine
CID 107898855
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115895883
N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide
CID 57060861
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223007

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine (CID 115715971) is N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine is CC(Cc1ccsc1)NCCN(C)C(C)C.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is JNPHNHODCKWGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-11(2)15(4)7-6-14-12(3)9-13-5-8-16-10-13/h5,8,10-12,14H,6-7,9H2,1-4H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine?
N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115715971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).