N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

C13H20N2S — CID 61433894

IUPACN,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESNCC(C1CC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H20N2S/c14-7-13(11-1-2-11)15(12-3-4-12)8-10-5-6-16-9-10/h5-6,9,11-13H,1-4,7-8,14H2
InChIKeyYVMTVWYHRFRUPK-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.45
Rot. Bonds6

About N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 61433894) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID61433894
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESNCC(C1CC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H20N2S/c14-7-13(11-1-2-11)15(12-3-4-12)8-10-5-6-16-9-10/h5-6,9,11-13H,1-4,7-8,14H2
InChIKeyYVMTVWYHRFRUPK-UHFFFAOYSA-N
XLogP2.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433657
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 82835300
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 61433947
4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide
CID 66426893
N-cyclopropyl-1-(3,5-difluorophenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 106528560
N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433474
N-cyclopropyl-1-(5-methylfuran-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433709
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433942
N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433425
1-(3-bromo-4-fluorophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433901

Frequently Asked Questions

What is the IUPAC name of N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 61433894) is N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is NCC(C1CC1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is YVMTVWYHRFRUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c14-7-13(11-1-2-11)15(12-3-4-12)8-10-5-6-16-9-10/h5-6,9,11-13H,1-4,7-8,14H2.
What are the key properties of N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 236.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61433894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).