N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine

C14H27NO — CID 106329063

IUPACN-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCC(C)(CC)NC1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO/c1-4-13(3,5-2)15-12-7-10-16-14(11-12)8-6-9-14/h12,15H,4-11H2,1-3H3
InChIKeyHJZHIDGMDHXAHH-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds4

About N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine

N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 106329063) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID106329063
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCC(C)(CC)NC1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO/c1-4-13(3,5-2)15-12-7-10-16-14(11-12)8-6-9-14/h12,15H,4-11H2,1-3H3
InChIKeyHJZHIDGMDHXAHH-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755
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
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol
CID 79904099
N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895018
N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113488726
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
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
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine (CID 106329063) is N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine is CCC(C)(CC)NC1CCOC2(CCC2)C1.
What is the InChIKey of N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is HJZHIDGMDHXAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-13(3,5-2)15-12-7-10-16-14(11-12)8-6-9-14/h12,15H,4-11H2,1-3H3.
What are the key properties of N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine?
N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 225.38 g/mol, XLogP of 3.26, 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)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 106329063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).