N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine

C13H23NO — CID 102896534

IUPACN-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H23NO/c1-2-10-14-11-12-6-9-13(15-12)7-4-3-5-8-13/h2,12,14H,1,3-11H2
InChIKeyIRAAEVLLBYLUHI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds4

About N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine

N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 102896534) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
PubChem CID102896534
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H23NO/c1-2-10-14-11-12-6-9-13(15-12)7-4-3-5-8-13/h2,12,14H,1,3-11H2
InChIKeyIRAAEVLLBYLUHI-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102848061
2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 102848084
N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896521
N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 102896525
N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896527
N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-yn-1-amine
CID 102896532
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)prop-2-en-1-amine
CID 102896533
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102896549
2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102896551
N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine
CID 102896555
1-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)methanamine
CID 102896557

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine (CID 102896534) is N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine is C=CCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is IRAAEVLLBYLUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-10-14-11-12-6-9-13(15-12)7-4-3-5-8-13/h2,12,14H,1,3-11H2.
What are the key properties of N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine?
N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 102896534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).