1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine

C18H33NO2 — CID 79900577

IUPAC1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine
SMILESNC1(COC2CCOC3(CCCCC3)C2)CCCCCC1
InChIInChI=1S/C18H33NO2/c19-17(9-4-1-2-5-10-17)15-20-16-8-13-21-18(14-16)11-6-3-7-12-18/h16H,1-15,19H2
InChIKeySCBGRWVJAPOTBG-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.94
Rot. Bonds3

About 1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine

1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine (PubChem CID 79900577) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine
PubChem CID79900577
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine
SMILESNC1(COC2CCOC3(CCCCC3)C2)CCCCCC1
InChIInChI=1S/C18H33NO2/c19-17(9-4-1-2-5-10-17)15-20-16-8-13-21-18(14-16)11-6-3-7-12-18/h16H,1-15,19H2
InChIKeySCBGRWVJAPOTBG-UHFFFAOYSA-N
XLogP3.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cyclohexan-1-amine
CID 79894098
O-(1-oxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894176
2-(5-oxaspiro[3.5]nonan-8-yloxy)ethanamine
CID 79893869
3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine
CID 79894633
2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine
CID 79905252
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine
CID 79893870
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894333
[4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine
CID 79904420
1-[(3-methylcyclohexyl)oxymethyl]cycloheptan-1-amine
CID 64548755
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
N-benzyl-2,2-dimethyl-3-(1-oxaspiro[5.5]undecan-4-yloxy)propan-1-amine
CID 113354642

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine (CID 79900577) is 1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine is NC1(COC2CCOC3(CCCCC3)C2)CCCCCC1.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine?
The InChIKey is SCBGRWVJAPOTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c19-17(9-4-1-2-5-10-17)15-20-16-8-13-21-18(14-16)11-6-3-7-12-18/h16H,1-15,19H2.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine?
1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 79900577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).