N-prop-2-enylspiro[4.5]decan-4-amine

C13H23N — CID 130646747

IUPACN-prop-2-enylspiro[4.5]decan-4-amine
SMILESC=CCNC1CCCC12CCCCC2
InChIInChI=1S/C13H23N/c1-2-11-14-12-7-6-10-13(12)8-4-3-5-9-13/h2,12,14H,1,3-11H2
InChIKeyBAFTWEJNPXAZIG-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.27
Rot. Bonds3

About N-prop-2-enylspiro[4.5]decan-4-amine

N-prop-2-enylspiro[4.5]decan-4-amine (PubChem CID 130646747) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-prop-2-enylspiro[4.5]decan-4-amine.

Molecular Properties

Compound NameN-prop-2-enylspiro[4.5]decan-4-amine
PubChem CID130646747
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-prop-2-enylspiro[4.5]decan-4-amine
SMILESC=CCNC1CCCC12CCCCC2
InChIInChI=1S/C13H23N/c1-2-11-14-12-7-6-10-13(12)8-4-3-5-9-13/h2,12,14H,1,3-11H2
InChIKeyBAFTWEJNPXAZIG-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylspiro[4.5]decan-4-amine?
The IUPAC name of N-prop-2-enylspiro[4.5]decan-4-amine (CID 130646747) is N-prop-2-enylspiro[4.5]decan-4-amine.
What is the SMILES notation for N-prop-2-enylspiro[4.5]decan-4-amine?
The canonical SMILES for N-prop-2-enylspiro[4.5]decan-4-amine is C=CCNC1CCCC12CCCCC2.
What is the InChIKey of N-prop-2-enylspiro[4.5]decan-4-amine?
The InChIKey is BAFTWEJNPXAZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-11-14-12-7-6-10-13(12)8-4-3-5-9-13/h2,12,14H,1,3-11H2.
What are the key properties of N-prop-2-enylspiro[4.5]decan-4-amine?
N-prop-2-enylspiro[4.5]decan-4-amine has a molecular weight of 193.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylspiro[4.5]decan-4-amine is sourced from PubChem (CID 130646747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).