N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine

C13H25NO — CID 102901285

IUPACN-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
SMILESCNCCCCC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO/c1-14-11-5-2-6-12-7-10-13(15-12)8-3-4-9-13/h12,14H,2-11H2,1H3
InChIKeyQXUCAGCSRMDWBW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds5

About N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine

N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine (PubChem CID 102901285) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
PubChem CID102901285
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
SMILESCNCCCCC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO/c1-14-11-5-2-6-12-7-10-13(15-12)8-3-4-9-13/h12,14H,2-11H2,1H3
InChIKeyQXUCAGCSRMDWBW-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102900558
3-Fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 112564402
1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 114216224
4-[(Oxolan-2-yl)methyl]piperidine
CID 67123011
N-methyl-1-[(2S,3S,5S)-3-methyl-5-propyloxolan-2-yl]methanamine
CID 139541916
N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine
CID 139541923
Ethane;4-(oxolan-2-ylmethyl)piperidine
CID 144801805
N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine
CID 153339575
ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine
CID 165125105
4-[(4-Methyloxolan-2-yl)methyl]piperidine
CID 170175564
N-methyl-2-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 13025933
1-cyclopentyl-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 60817982

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine?
The IUPAC name of N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine (CID 102901285) is N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine is CNCCCCC1CCC2(CCCC2)O1.
What is the InChIKey of N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine?
The InChIKey is QXUCAGCSRMDWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-14-11-5-2-6-12-7-10-13(15-12)8-3-4-9-13/h12,14H,2-11H2,1H3.
What are the key properties of N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine?
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine is sourced from PubChem (CID 102901285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).