N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine

C15H29NO — CID 106328755

IUPACN-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
SMILESCCC(C)(CC)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H29NO/c1-4-14(3,5-2)16-13-8-11-17-15(12-13)9-6-7-10-15/h13,16H,4-12H2,1-3H3
InChIKeyGMHQBGMLZKIBLD-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds4

About N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine

N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 106328755) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID106328755
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
SMILESCCC(C)(CC)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H29NO/c1-4-14(3,5-2)16-13-8-11-17-15(12-13)9-6-7-10-15/h13,16H,4-12H2,1-3H3
InChIKeyGMHQBGMLZKIBLD-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 106329063
N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897688
2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79904025
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol
CID 79904099
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113488726
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
2-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79899395
N-(1-methylcyclopentyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895072
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine (CID 106328755) is N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine is CCC(C)(CC)NC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is GMHQBGMLZKIBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-14(3,5-2)16-13-8-11-17-15(12-13)9-6-7-10-15/h13,16H,4-12H2,1-3H3.
What are the key properties of N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine?
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 239.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 106328755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).