2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine

C16H28N2S — CID 79865626

IUPAC2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
SMILESCC(C)N(Cc1cccs1)CC1CCC(C)(C)C1N
InChIInChI=1S/C16H28N2S/c1-12(2)18(11-14-6-5-9-19-14)10-13-7-8-16(3,4)15(13)17/h5-6,9,12-13,15H,7-8,10-11,17H2,1-4H3
InChIKeyJXCNOOBOWNIXNB-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.72
Rot. Bonds5

About 2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine

2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine (PubChem CID 79865626) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
PubChem CID79865626
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
SMILESCC(C)N(Cc1cccs1)CC1CCC(C)(C)C1N
InChIInChI=1S/C16H28N2S/c1-12(2)18(11-14-6-5-9-19-14)10-13-7-8-16(3,4)15(13)17/h5-6,9,12-13,15H,7-8,10-11,17H2,1-4H3
InChIKeyJXCNOOBOWNIXNB-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 79852664
N-methyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 55094707
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 82952605
N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine
CID 103059500
1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 81171454
1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine
CID 54946732
N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866036
2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one
CID 79912577
N,2,2-trimethyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopentan-1-amine
CID 79855579
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 63142751
N-[(2-methylpiperidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 104594909
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine (CID 79865626) is 2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine is CC(C)N(Cc1cccs1)CC1CCC(C)(C)C1N.
What is the InChIKey of 2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is JXCNOOBOWNIXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12(2)18(11-14-6-5-9-19-14)10-13-7-8-16(3,4)15(13)17/h5-6,9,12-13,15H,7-8,10-11,17H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine?
2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 79865626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).