4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine

C15H29NO — CID 102896817

IUPAC4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
SMILESCC(C)CC(C)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C15H29NO/c1-12(2)10-13(3)16-11-14-6-9-15(17-14)7-4-5-8-15/h12-14,16H,4-11H2,1-3H3
InChIKeyWFWNJQMGEAGYNJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds5

About 4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine

4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine (PubChem CID 102896817) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
PubChem CID102896817
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
SMILESCC(C)CC(C)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C15H29NO/c1-12(2)10-13(3)16-11-14-6-9-15(17-14)7-4-5-8-15/h12-14,16H,4-11H2,1-3H3
InChIKeyWFWNJQMGEAGYNJ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 107859550
1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102897316
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine
CID 102897813
1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102897158
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
1-bromo-3-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 107859043
1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102900844
N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine
CID 102901359
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 102896845
1-chloro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 102900785
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine (CID 102896817) is 4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine is CC(C)CC(C)NCC1CCC2(CCCC2)O1.
What is the InChIKey of 4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine?
The InChIKey is WFWNJQMGEAGYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)10-13(3)16-11-14-6-9-15(17-14)7-4-5-8-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine?
4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 102896817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).