1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine

C13H22N2S — CID 81171454

IUPAC1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
SMILESCC(C)N(Cc1cccs1)CC1(N)CCC1
InChIInChI=1S/C13H22N2S/c1-11(2)15(9-12-5-3-8-16-12)10-13(14)6-4-7-13/h3,5,8,11H,4,6-7,9-10,14H2,1-2H3
InChIKeyCOBPUOKGZHTDOG-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.84
Rot. Bonds5

About 1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine

1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine (PubChem CID 81171454) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
PubChem CID81171454
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
SMILESCC(C)N(Cc1cccs1)CC1(N)CCC1
InChIInChI=1S/C13H22N2S/c1-11(2)15(9-12-5-3-8-16-12)10-13(14)6-4-7-13/h3,5,8,11H,4,6-7,9-10,14H2,1-2H3
InChIKeyCOBPUOKGZHTDOG-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpiperidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 104594909
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494867
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 54948428
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 63142751
1-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 114830377
1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]cyclohexan-1-amine
CID 64677713
2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79865626
1-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64679712
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 115294700
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321

Frequently Asked Questions

What is the IUPAC name of 1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine (CID 81171454) is 1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine is CC(C)N(Cc1cccs1)CC1(N)CCC1.
What is the InChIKey of 1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
The InChIKey is COBPUOKGZHTDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(2)15(9-12-5-3-8-16-12)10-13(14)6-4-7-13/h3,5,8,11H,4,6-7,9-10,14H2,1-2H3.
What are the key properties of 1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 81171454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).