3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine

C16H31NO — CID 66357190

IUPAC3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine
SMILESCC(C)CC(C)OC1CC(N)C12CCCCCC2
InChIInChI=1S/C16H31NO/c1-12(2)10-13(3)18-15-11-14(17)16(15)8-6-4-5-7-9-16/h12-15H,4-11,17H2,1-3H3
InChIKeyPSMLWNBWWCBZHF-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.88
Rot. Bonds4

About 3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine

3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine (PubChem CID 66357190) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine
PubChem CID66357190
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine
SMILESCC(C)CC(C)OC1CC(N)C12CCCCCC2
InChIInChI=1S/C16H31NO/c1-12(2)10-13(3)18-15-11-14(17)16(15)8-6-4-5-7-9-16/h12-15H,4-11,17H2,1-3H3
InChIKeyPSMLWNBWWCBZHF-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
CID 66357192
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836
3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine
CID 66357984
3-bromo-1-pentan-2-yloxyspiro[3.5]nonane
CID 102988701
3-methoxyspiro[3.4]octan-1-amine
CID 66357973
3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357564
3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine
CID 114249127
3-pentan-2-yloxyspiro[3.5]nonan-1-ol
CID 102988636
3-chloro-1-pentan-2-yloxyspiro[3.5]nonane
CID 102988681
3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
CID 82794539
3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66358870
3-(1-methoxypropan-2-yloxy)-N-methylspiro[3.4]octan-1-amine
CID 66350720

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine?
The IUPAC name of 3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine (CID 66357190) is 3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for 3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine?
The canonical SMILES for 3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine is CC(C)CC(C)OC1CC(N)C12CCCCCC2.
What is the InChIKey of 3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine?
The InChIKey is PSMLWNBWWCBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)10-13(3)18-15-11-14(17)16(15)8-6-4-5-7-9-16/h12-15H,4-11,17H2,1-3H3.
What are the key properties of 3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine?
3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66357190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).