(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

C16H29NO2 — CID 104610599

IUPAC(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCOC1(C(N)C2CCOC3(CCCC3)C2)CCCC1
InChIInChI=1S/C16H29NO2/c1-18-16(9-4-5-10-16)14(17)13-6-11-19-15(12-13)7-2-3-8-15/h13-14H,2-12,17H2,1H3
InChIKeyXUQFJPYXMGBIFI-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.01
Rot. Bonds3

About (1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 104610599) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID104610599
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCOC1(C(N)C2CCOC3(CCCC3)C2)CCCC1
InChIInChI=1S/C16H29NO2/c1-18-16(9-4-5-10-16)14(17)13-6-11-19-15(12-13)7-2-3-8-15/h13-14H,2-12,17H2,1H3
InChIKeyXUQFJPYXMGBIFI-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 116764461
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764435
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870
(1-methoxy-3-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 116767455
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914646
3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 113391352
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016821

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 104610599) is (1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is COC1(C(N)C2CCOC3(CCCC3)C2)CCCC1.
What is the InChIKey of (1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is XUQFJPYXMGBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-18-16(9-4-5-10-16)14(17)13-6-11-19-15(12-13)7-2-3-8-15/h13-14H,2-12,17H2,1H3.
What are the key properties of (1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 267.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 104610599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).