2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine

C13H25NO — CID 79924373

IUPAC2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCC(CN)CC1CCOC2(CCCC2)C1
InChIInChI=1S/C13H25NO/c1-11(10-14)8-12-4-7-15-13(9-12)5-2-3-6-13/h11-12H,2-10,14H2,1H3
InChIKeyKPNPHCLISJJEID-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.71
Rot. Bonds3

About 2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine

2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 79924373) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID79924373
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCC(CN)CC1CCOC2(CCCC2)C1
InChIInChI=1S/C13H25NO/c1-11(10-14)8-12-4-7-15-13(9-12)5-2-3-6-13/h11-12H,2-10,14H2,1H3
InChIKeyKPNPHCLISJJEID-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methylpropyl)-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79923005
N-ethyl-2-methyl-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79923385
4-(3-chloro-2-methylpropyl)-1,9-dioxaspiro[5.5]undecane
CID 79923043
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79897985
N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897597
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79920851
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 79920475
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine
CID 79923262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (CID 79924373) is 2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is CC(CN)CC1CCOC2(CCCC2)C1.
What is the InChIKey of 2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is KPNPHCLISJJEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(10-14)8-12-4-7-15-13(9-12)5-2-3-6-13/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 79924373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).