1,9-dioxaspiro[5.5]undecan-4-amine

C9H17NO2 — CID 56737765

IUPAC1,9-dioxaspiro[5.5]undecan-4-amine
SMILESNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C9H17NO2/c10-8-1-4-12-9(7-8)2-5-11-6-3-9/h8H,1-7,10H2
InChIKeyPJWRZNHJMHNNFJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds

About 1,9-dioxaspiro[5.5]undecan-4-amine

1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 56737765) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID56737765
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-amine
SMILESNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C9H17NO2/c10-8-1-4-12-9(7-8)2-5-11-6-3-9/h8H,1-7,10H2
InChIKeyPJWRZNHJMHNNFJ-UHFFFAOYSA-N
XLogP0.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-amine (CID 56737765) is 1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-amine is NC1CCOC2(CCOCC2)C1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is PJWRZNHJMHNNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c10-8-1-4-12-9(7-8)2-5-11-6-3-9/h8H,1-7,10H2.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-amine?
1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 171.24 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 56737765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).