3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine

C16H29NO — CID 116538915

IUPAC3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
SMILESCC1(C2CCOC3(CCCCC3)C2)CCC(N)C1
InChIInChI=1S/C16H29NO/c1-15(9-5-14(17)12-15)13-6-10-18-16(11-13)7-3-2-4-8-16/h13-14H,2-12,17H2,1H3
InChIKeyUKUWNWFJYUMDFY-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.63
Rot. Bonds1

About 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine

3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine (PubChem CID 116538915) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
PubChem CID116538915
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
SMILESCC1(C2CCOC3(CCCCC3)C2)CCC(N)C1
InChIInChI=1S/C16H29NO/c1-15(9-5-14(17)12-15)13-6-10-18-16(11-13)7-3-2-4-8-16/h13-14H,2-12,17H2,1H3
InChIKeyUKUWNWFJYUMDFY-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79912522
3-methyl-3-(oxan-3-yl)cyclopentan-1-amine
CID 107137841
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one
CID 116538544
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-oxaspiro[4.5]decan-3-amine
CID 19040159
1-oxaspiro[4.5]decan-8-amine
CID 67070405
1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
CID 115401216
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
CID 80610980
3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
CID 79913343

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The IUPAC name of 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine (CID 116538915) is 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine is CC1(C2CCOC3(CCCCC3)C2)CCC(N)C1.
What is the InChIKey of 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The InChIKey is UKUWNWFJYUMDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-15(9-5-14(17)12-15)13-6-10-18-16(11-13)7-3-2-4-8-16/h13-14H,2-12,17H2,1H3.
What are the key properties of 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 116538915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).