[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine

C9H17NO — CID 125041554

IUPAC[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine
SMILESNC[C@H]1CCC12CCOCC2
InChIInChI=1S/C9H17NO/c10-7-8-1-2-9(8)3-5-11-6-4-9/h8H,1-7,10H2/t8-/m1/s1
InChIKeySWYOPHMRNVLUGC-MRVPVSSYSA-N
MW155.24 g/mol
LogP1.15
Rot. Bonds1

About [(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine

[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine (PubChem CID 125041554) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine
PubChem CID125041554
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine
SMILESNC[C@H]1CCC12CCOCC2
InChIInChI=1S/C9H17NO/c10-7-8-1-2-9(8)3-5-11-6-4-9/h8H,1-7,10H2/t8-/m1/s1
InChIKeySWYOPHMRNVLUGC-MRVPVSSYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxaspiro[5.5]undecan-11-ylmethanamine
CID 83906798
2,9-dioxaspiro[5.5]undecan-5-ylmethanamine
CID 82406105
spiro[3.3]heptan-3-ylmethanamine;hydrochloride
CID 139026678
[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine
CID 124508591
1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride
CID 146108126
2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine
CID 83908267
8-oxaspiro[4.5]decan-4-ylmethanol
CID 126975254
3-oxaspiro[5.5]undecan-11-amine
CID 83905754
9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine
CID 82405263
2-(7-oxaspiro[2.6]nonan-2-yl)ethanamine
CID 83827138
7-oxaspiro[2.6]nonan-2-amine
CID 65080551
1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine
CID 84653555

Frequently Asked Questions

What is the IUPAC name of [(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine?
The IUPAC name of [(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine (CID 125041554) is [(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine.
What is the SMILES notation for [(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine?
The canonical SMILES for [(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine is NC[C@H]1CCC12CCOCC2.
What is the InChIKey of [(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine?
The InChIKey is SWYOPHMRNVLUGC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO/c10-7-8-1-2-9(8)3-5-11-6-4-9/h8H,1-7,10H2/t8-/m1/s1.
What are the key properties of [(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine?
[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine is sourced from PubChem (CID 125041554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).