1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine

C12H20N2S — CID 61435222

IUPAC1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
SMILESCCC(N)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H20N2S/c1-2-11(13)8-14(12-3-4-12)7-10-5-6-15-9-10/h5-6,9,11-12H,2-4,7-8,13H2,1H3
InChIKeyHMNGEDBJFJXENG-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.45
Rot. Bonds6

About 1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine

1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine (PubChem CID 61435222) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
PubChem CID61435222
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
SMILESCCC(N)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H20N2S/c1-2-11(13)8-14(12-3-4-12)7-10-5-6-15-9-10/h5-6,9,11-12H,2-4,7-8,13H2,1H3
InChIKeyHMNGEDBJFJXENG-UHFFFAOYSA-N
XLogP2.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine
CID 65296493
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900408
1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 103159831
1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24713468
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine
CID 43649749
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine (CID 61435222) is 1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine is CCC(N)CN(Cc1ccsc1)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine?
The InChIKey is HMNGEDBJFJXENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-11(13)8-14(12-3-4-12)7-10-5-6-15-9-10/h5-6,9,11-12H,2-4,7-8,13H2,1H3.
What are the key properties of 1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine?
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine has a molecular weight of 224.37 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 1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 61435222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).