1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine

C13H23NO2 — CID 102648035

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)C1(OC)CCCC1
InChIInChI=1S/C13H23NO2/c1-14-12(11-7-3-6-10-16-11)13(15-2)8-4-5-9-13/h7,12,14H,3-6,8-10H2,1-2H3
InChIKeyFTISHQVSRJWNGF-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.23
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine (PubChem CID 102648035) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
PubChem CID102648035
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)C1(OC)CCCC1
InChIInChI=1S/C13H23NO2/c1-14-12(11-7-3-6-10-16-11)13(15-2)8-4-5-9-13/h7,12,14H,3-6,8-10H2,1-2H3
InChIKeyFTISHQVSRJWNGF-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-1-(2-methyloxan-2-yl)but-2-en-1-amine
CID 80684164
N,3-dimethyl-1-(2-methyloxan-2-yl)but-2-en-1-amine
CID 80685355
3-methyl-1-(2-methyloxan-2-yl)-N-propylbut-2-en-1-amine
CID 80685735
1-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647213
1-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647237
N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647238
N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647239
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 102647602
N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 102647603
1-(3,4-dihydro-2H-pyran-6-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 102647605
1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 102647731
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 102647853

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine (CID 102648035) is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine is CNC(C1=CCCCO1)C1(OC)CCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The InChIKey is FTISHQVSRJWNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14-12(11-7-3-6-10-16-11)13(15-2)8-4-5-9-13/h7,12,14H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 102648035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).