1-oxaspiro[4.5]decan-3-amine

C9H17NO — CID 19040159

IUPAC1-oxaspiro[4.5]decan-3-amine
SMILESNC1COC2(CCCCC2)C1
InChIInChI=1S/C9H17NO/c10-8-6-9(11-7-8)4-2-1-3-5-9/h8H,1-7,10H2
InChIKeyPSIITUUECNJZIB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.44
Rot. Bonds

About 1-oxaspiro[4.5]decan-3-amine

1-oxaspiro[4.5]decan-3-amine (PubChem CID 19040159) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-oxaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name1-oxaspiro[4.5]decan-3-amine
PubChem CID19040159
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-oxaspiro[4.5]decan-3-amine
SMILESNC1COC2(CCCCC2)C1
InChIInChI=1S/C9H17NO/c10-8-6-9(11-7-8)4-2-1-3-5-9/h8H,1-7,10H2
InChIKeyPSIITUUECNJZIB-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-oxaspiro[4.4]nonan-3-amine
CID 42546206
5-oxaspiro[3.4]octan-7-amine;hydrochloride
CID 122156633
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 116538915
(3S)-1-oxaspiro[4.4]nonan-3-ol
CID 124707938
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
1-oxaspiro[4.5]decan-8-amine
CID 67070405
1-oxaspiro[3.4]octan-3-amine
CID 155895257
[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine
CID 99996112
(Z)-but-2-enedioic acid;8-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 67712534
1-oxaspiro[2.7]decane
CID 13240757
O-(1-oxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894176

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]decan-3-amine?
The IUPAC name of 1-oxaspiro[4.5]decan-3-amine (CID 19040159) is 1-oxaspiro[4.5]decan-3-amine.
What is the SMILES notation for 1-oxaspiro[4.5]decan-3-amine?
The canonical SMILES for 1-oxaspiro[4.5]decan-3-amine is NC1COC2(CCCCC2)C1.
What is the InChIKey of 1-oxaspiro[4.5]decan-3-amine?
The InChIKey is PSIITUUECNJZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-8-6-9(11-7-8)4-2-1-3-5-9/h8H,1-7,10H2.
What are the key properties of 1-oxaspiro[4.5]decan-3-amine?
1-oxaspiro[4.5]decan-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]decan-3-amine is sourced from PubChem (CID 19040159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).