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

C12H20N2S — CID 61433840

IUPAC3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
SMILESCC(CCN)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H20N2S/c1-10(4-6-13)14(12-2-3-12)8-11-5-7-15-9-11/h5,7,9-10,12H,2-4,6,8,13H2,1H3
InChIKeyQGHHOGOQAMQDKS-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.45
Rot. Bonds6

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

3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine (PubChem CID 61433840) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
PubChem CID61433840
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
SMILESCC(CCN)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H20N2S/c1-10(4-6-13)14(12-2-3-12)8-11-5-7-15-9-11/h5,7,9-10,12H,2-4,6,8,13H2,1H3
InChIKeyQGHHOGOQAMQDKS-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

3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine
CID 60914508
2-N-cyclopropyl-1-N-propan-2-yl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62436808
1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570532
N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433894
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 55072560
2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570350
1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433657
2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 61433947
tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
CID 64687774
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 82835300
N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433474

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The IUPAC name of 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine (CID 61433840) is 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine is CC(CCN)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The InChIKey is QGHHOGOQAMQDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(4-6-13)14(12-2-3-12)8-11-5-7-15-9-11/h5,7,9-10,12H,2-4,6,8,13H2,1H3.
What are the key properties of 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-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 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 61433840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).