[(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol

C9H18N2O — CID 129497777

IUPAC[(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol
SMILESNN1C[C@@H](CO)C2(CCCC2)C1
InChIInChI=1S/C9H18N2O/c10-11-5-8(6-12)9(7-11)3-1-2-4-9/h8,12H,1-7,10H2/t8-/m0/s1
InChIKeyHITXICOUJAUQND-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.34
Rot. Bonds1

About [(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol

[(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol (PubChem CID 129497777) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is [(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol
PubChem CID129497777
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name[(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol
SMILESNN1C[C@@H](CO)C2(CCCC2)C1
InChIInChI=1S/C9H18N2O/c10-11-5-8(6-12)9(7-11)3-1-2-4-9/h8,12H,1-7,10H2/t8-/m0/s1
InChIKeyHITXICOUJAUQND-QMMMGPOBSA-N
XLogP0.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(8S)-6-amino-6-azaspiro[3.4]octan-8-yl]methanol
CID 129496100
(6-amino-6-azaspiro[3.4]octan-8-yl)methanol
CID 121204402
2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid
CID 129495518
N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide
CID 129498463
(2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129499354
3-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-3-oxopropanenitrile
CID 121202820
[2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol
CID 121202806
[(2R)-spiro[2.5]octan-2-yl]methanol
CID 129372228
[(2R)-spiro[2.3]hexan-2-yl]methanol
CID 129372224
[6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol
CID 121204401
[(3aS,7aS)-2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
CID 129497472
spiro[2.4]heptan-7-ylmethanol
CID 149455832

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol?
The IUPAC name of [(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol (CID 129497777) is [(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol.
What is the SMILES notation for [(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol?
The canonical SMILES for [(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol is NN1C[C@@H](CO)C2(CCCC2)C1.
What is the InChIKey of [(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol?
The InChIKey is HITXICOUJAUQND-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c10-11-5-8(6-12)9(7-11)3-1-2-4-9/h8,12H,1-7,10H2/t8-/m0/s1.
What are the key properties of [(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol?
[(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol has a molecular weight of 170.26 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol is sourced from PubChem (CID 129497777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).