3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine

C13H25NO2 — CID 79924224

IUPAC3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
SMILESCNCCCC1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-14-7-2-3-12-4-8-16-13(11-12)5-9-15-10-6-13/h12,14H,2-11H2,1H3
InChIKeyCYIVAVGBLUAMGR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds4

About 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine

3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine (PubChem CID 79924224) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
PubChem CID79924224
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
SMILESCNCCCC1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-14-7-2-3-12-4-8-16-13(11-12)5-9-15-10-6-13/h12,14H,2-11H2,1H3
InChIKeyCYIVAVGBLUAMGR-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-(2-methoxyethyl)propan-1-amine
CID 79924099
2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine
CID 79923870
9-(3-bromopropyl)-6-oxaspiro[4.5]decane
CID 79923550
8-(3-chloropropyl)-5-oxaspiro[3.5]nonane
CID 79923660
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine
CID 79923379
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
4-(3-chloro-2-methylpropyl)-1,9-dioxaspiro[5.5]undecane
CID 79923043
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine
CID 79924363
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine
CID 79923262
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpropanoic acid
CID 81009039

Frequently Asked Questions

What is the IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine (CID 79924224) is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine is CNCCCC1CCOC2(CCOCC2)C1.
What is the InChIKey of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine?
The InChIKey is CYIVAVGBLUAMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-14-7-2-3-12-4-8-16-13(11-12)5-9-15-10-6-13/h12,14H,2-11H2,1H3.
What are the key properties of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine?
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 79924224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).