N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine

C15H29NO — CID 114244596

IUPACN-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine
SMILESCC(NC1CCCC12CCOCC2)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-12(14(2,3)4)16-13-6-5-7-15(13)8-10-17-11-9-15/h12-13,16H,5-11H2,1-4H3
InChIKeyDAQHACSEVWXSHD-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine

N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine (PubChem CID 114244596) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine
PubChem CID114244596
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine
SMILESCC(NC1CCCC12CCOCC2)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-12(14(2,3)4)16-13-6-5-7-15(13)8-10-17-11-9-15/h12-13,16H,5-11H2,1-4H3
InChIKeyDAQHACSEVWXSHD-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol
CID 114244648
N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine
CID 114244589
N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine
CID 114244636
N-(3,3-dimethylbutan-2-yl)oxan-3-amine
CID 115717971
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
CID 114244542
1-[(2S)-4-methylsulfonylbutan-2-yl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea
CID 124849042
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
CID 114244544
(3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide
CID 129344708
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
3,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 115893014
N-propan-2-yloxyspiro[3.4]octan-8-amine
CID 131048795

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine (CID 114244596) is N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine is CC(NC1CCCC12CCOCC2)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine?
The InChIKey is DAQHACSEVWXSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(14(2,3)4)16-13-6-5-7-15(13)8-10-17-11-9-15/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine?
N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine is sourced from PubChem (CID 114244596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).