(3S)-1-oxaspiro[4.4]nonan-3-amine

C8H15NO — CID 42546206

IUPAC(3S)-1-oxaspiro[4.4]nonan-3-amine
SMILESN[C@@H]1COC2(CCCC2)C1
InChIInChI=1S/C8H15NO/c9-7-5-8(10-6-7)3-1-2-4-8/h7H,1-6,9H2/t7-/m0/s1
InChIKeyLTYSMVXAJZQBNP-ZETCQYMHSA-N
MW141.21 g/mol
LogP1.05
Rot. Bonds

About (3S)-1-oxaspiro[4.4]nonan-3-amine

(3S)-1-oxaspiro[4.4]nonan-3-amine (PubChem CID 42546206) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3S)-1-oxaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name(3S)-1-oxaspiro[4.4]nonan-3-amine
PubChem CID42546206
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3S)-1-oxaspiro[4.4]nonan-3-amine
SMILESN[C@@H]1COC2(CCCC2)C1
InChIInChI=1S/C8H15NO/c9-7-5-8(10-6-7)3-1-2-4-8/h7H,1-6,9H2/t7-/m0/s1
InChIKeyLTYSMVXAJZQBNP-ZETCQYMHSA-N
XLogP1.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-oxaspiro[4.5]decan-3-amine
CID 19040159
5-oxaspiro[3.4]octan-7-amine;hydrochloride
CID 122156633
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
(3S)-1-oxaspiro[4.4]nonan-3-ol
CID 124707938
1-oxaspiro[3.4]octan-3-amine
CID 155895257
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 116538915
(Z)-but-2-enedioic acid;8-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 67712534
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine
CID 164651183
1-oxaspiro[4.5]decan-8-amine
CID 67070405
[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine
CID 99996112
(7R)-7-methoxy-5-oxaspiro[3.4]octane
CID 162176613

Frequently Asked Questions

What is the IUPAC name of (3S)-1-oxaspiro[4.4]nonan-3-amine?
The IUPAC name of (3S)-1-oxaspiro[4.4]nonan-3-amine (CID 42546206) is (3S)-1-oxaspiro[4.4]nonan-3-amine.
What is the SMILES notation for (3S)-1-oxaspiro[4.4]nonan-3-amine?
The canonical SMILES for (3S)-1-oxaspiro[4.4]nonan-3-amine is N[C@@H]1COC2(CCCC2)C1.
What is the InChIKey of (3S)-1-oxaspiro[4.4]nonan-3-amine?
The InChIKey is LTYSMVXAJZQBNP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO/c9-7-5-8(10-6-7)3-1-2-4-8/h7H,1-6,9H2/t7-/m0/s1.
What are the key properties of (3S)-1-oxaspiro[4.4]nonan-3-amine?
(3S)-1-oxaspiro[4.4]nonan-3-amine has a molecular weight of 141.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-oxaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 42546206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).