1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine

C13H25NO — CID 115846609

IUPAC1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine
SMILESCC1(C(N)CC2CCOCC2)CCCC1
InChIInChI=1S/C13H25NO/c1-13(6-2-3-7-13)12(14)10-11-4-8-15-9-5-11/h11-12H,2-10,14H2,1H3
InChIKeyQJHNTVAHUZQARN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.71
Rot. Bonds3

About 1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine

1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine (PubChem CID 115846609) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine
PubChem CID115846609
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine
SMILESCC1(C(N)CC2CCOCC2)CCCC1
InChIInChI=1S/C13H25NO/c1-13(6-2-3-7-13)12(14)10-11-4-8-15-9-5-11/h11-12H,2-10,14H2,1H3
InChIKeyQJHNTVAHUZQARN-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-amino-2-(oxan-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080920
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
[(1-methylcyclohexyl)-(oxan-4-yl)methyl]hydrazine
CID 106831213
N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine
CID 80685208
2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine
CID 63083238
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011006
1-(1-methylcyclopentyl)propan-1-amine
CID 114979259
2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
CID 157070530
1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol
CID 116753033
2-methyl-3-(oxan-4-yl)-N-propan-2-ylpropan-1-amine
CID 62529489

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine (CID 115846609) is 1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine is CC1(C(N)CC2CCOCC2)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine?
The InChIKey is QJHNTVAHUZQARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(6-2-3-7-13)12(14)10-11-4-8-15-9-5-11/h11-12H,2-10,14H2,1H3.
What are the key properties of 1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine?
1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).