1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol

C10H20N2O — CID 164657577

IUPAC1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol
SMILESCC(C(O)CN)N1CCC2(CC2)C1
InChIInChI=1S/C10H20N2O/c1-8(9(13)6-11)12-5-4-10(7-12)2-3-10/h8-9,13H,2-7,11H2,1H3
InChIKeyGUEXMGBCEDLAIM-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.18
Rot. Bonds3

About 1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol

1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol (PubChem CID 164657577) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol
PubChem CID164657577
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol
SMILESCC(C(O)CN)N1CCC2(CC2)C1
InChIInChI=1S/C10H20N2O/c1-8(9(13)6-11)12-5-4-10(7-12)2-3-10/h8-9,13H,2-7,11H2,1H3
InChIKeyGUEXMGBCEDLAIM-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-azaspiro[2.4]heptan-5-yl)ethanamine
CID 178155923
1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol
CID 164661529
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol
CID 126759684
2-amino-3-(5-azaspiro[2.5]octan-5-yl)butanamide
CID 164653521
2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpentan-1-amine
CID 79678047
2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
CID 170581950
2-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 63157149
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 135200103
3-(8-azaspiro[4.5]decan-8-yl)butan-2-ol
CID 63158941

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol?
The IUPAC name of 1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol (CID 164657577) is 1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol.
What is the SMILES notation for 1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol?
The canonical SMILES for 1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol is CC(C(O)CN)N1CCC2(CC2)C1.
What is the InChIKey of 1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol?
The InChIKey is GUEXMGBCEDLAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(9(13)6-11)12-5-4-10(7-12)2-3-10/h8-9,13H,2-7,11H2,1H3.
What are the key properties of 1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol?
1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-azaspiro[2.4]heptan-5-yl)butan-2-ol is sourced from PubChem (CID 164657577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).