N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine

C13H27NOS — CID 103786640

IUPACN-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine
SMILESCOC(C)(C)CC(C)NC1CCCC1SC
InChIInChI=1S/C13H27NOS/c1-10(9-13(2,3)15-4)14-11-7-6-8-12(11)16-5/h10-12,14H,6-9H2,1-5H3
InChIKeyIYBSAACVAHGWJJ-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.06
Rot. Bonds6

About N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine

N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103786640) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine
PubChem CID103786640
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine
SMILESCOC(C)(C)CC(C)NC1CCCC1SC
InChIInChI=1S/C13H27NOS/c1-10(9-13(2,3)15-4)14-11-7-6-8-12(11)16-5/h10-12,14H,6-9H2,1-5H3
InChIKeyIYBSAACVAHGWJJ-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine
CID 63277832
N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine
CID 103786645
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
[2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol
CID 103784997
N-(4-methoxy-4-methylpentan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115724640
N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylcyclopentan-1-amine
CID 64908217
N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine
CID 75428385
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine
CID 113250285
N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine
CID 103729880
2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
CID 115893163
N-(cyclopentylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 43370737

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine (CID 103786640) is N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine is COC(C)(C)CC(C)NC1CCCC1SC.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is IYBSAACVAHGWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-10(9-13(2,3)15-4)14-11-7-6-8-12(11)16-5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine?
N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103786640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).