N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine

C14H28N2S — CID 79865895

IUPACN-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine
SMILESCNC1C(CN(C)C2CCSC2)CCC1(C)C
InChIInChI=1S/C14H28N2S/c1-14(2)7-5-11(13(14)15-3)9-16(4)12-6-8-17-10-12/h11-13,15H,5-10H2,1-4H3
InChIKeyTWBHUININRMPKF-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.45
Rot. Bonds4

About N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine

N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine (PubChem CID 79865895) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine
PubChem CID79865895
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine
SMILESCNC1C(CN(C)C2CCSC2)CCC1(C)C
InChIInChI=1S/C14H28N2S/c1-14(2)7-5-11(13(14)15-3)9-16(4)12-6-8-17-10-12/h11-13,15H,5-10H2,1-4H3
InChIKeyTWBHUININRMPKF-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82743146
N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 79842868
2-[cyclopropyl-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]amino]ethanol
CID 79855562
2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol
CID 104554577
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79856035
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79865497
N,2,2-trimethyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 79849107
N,2,2-trimethyl-5-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 79855039
5-[[2-ethoxyethyl(methyl)amino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 81074491
N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79856110
N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine
CID 62615918
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline
CID 79865267

Frequently Asked Questions

What is the IUPAC name of N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine (CID 79865895) is N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine is CNC1C(CN(C)C2CCSC2)CCC1(C)C.
What is the InChIKey of N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine?
The InChIKey is TWBHUININRMPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-14(2)7-5-11(13(14)15-3)9-16(4)12-6-8-17-10-12/h11-13,15H,5-10H2,1-4H3.
What are the key properties of N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine?
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine has a molecular weight of 256.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 79865895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).