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

C12H18N2S — CID 80561825

IUPAC1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine
SMILESNC1CC(N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C12H18N2S/c13-9-6-11(7-9)14(10-3-4-10)8-12-2-1-5-15-12/h1-2,5,9-11H,3-4,6-8,13H2
InChIKeyWVBGVPFIYYGFJO-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.20
Rot. Bonds4

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

1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine (PubChem CID 80561825) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine
PubChem CID80561825
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine
SMILESNC1CC(N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C12H18N2S/c13-9-6-11(7-9)14(10-3-4-10)8-12-2-1-5-15-12/h1-2,5,9-11H,3-4,6-8,13H2
InChIKeyWVBGVPFIYYGFJO-UHFFFAOYSA-N
XLogP2.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(thiophen-2-ylmethyl)azetidin-3-amine
CID 62784619
2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
CID 61449195
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 115214158
N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996656
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 61450752
N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996992
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 54948428
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine (CID 80561825) is 1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine is NC1CC(N(Cc2cccs2)C2CC2)C1.
What is the InChIKey of 1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine?
The InChIKey is WVBGVPFIYYGFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c13-9-6-11(7-9)14(10-3-4-10)8-12-2-1-5-15-12/h1-2,5,9-11H,3-4,6-8,13H2.
What are the key properties of 1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine?
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine has a molecular weight of 222.36 g/mol, XLogP of 2.20, 4 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-2-ylmethyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80561825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).