3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

C16H31NO — CID 102900494

IUPAC3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESCC(C)(C)C(CN)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO/c1-15(2,3)13(12-17)11-14-7-10-16(18-14)8-5-4-6-9-16/h13-14H,4-12,17H2,1-3H3
InChIKeyRFPZJSOATFOXRF-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.88
Rot. Bonds3

About 3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (PubChem CID 102900494) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
PubChem CID102900494
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESCC(C)(C)C(CN)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO/c1-15(2,3)13(12-17)11-14-7-10-16(18-14)8-5-4-6-9-16/h13-14H,4-12,17H2,1-3H3
InChIKeyRFPZJSOATFOXRF-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine
CID 102900503
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane
CID 102899958
(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106702778
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
CID 102902077
1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
CID 102899508
3-methyl-N-(2-methylpropyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900270
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (CID 102900494) is 3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is CC(C)(C)C(CN)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The InChIKey is RFPZJSOATFOXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)13(12-17)11-14-7-10-16(18-14)8-5-4-6-9-16/h13-14H,4-12,17H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 102900494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).