(2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol

C11H21NO — CID 131107125

IUPAC(2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol
SMILESC[C@@H](CO)NC1CCC12CCCC2
InChIInChI=1S/C11H21NO/c1-9(8-13)12-10-4-7-11(10)5-2-3-6-11/h9-10,12-13H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyWOJFAVWLPJEYAS-RGURZIINSA-N
MW183.29 g/mol
LogP1.68
Rot. Bonds3

About (2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol

(2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol (PubChem CID 131107125) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol
PubChem CID131107125
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol
SMILESC[C@@H](CO)NC1CCC12CCCC2
InChIInChI=1S/C11H21NO/c1-9(8-13)12-10-4-7-11(10)5-2-3-6-11/h9-10,12-13H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyWOJFAVWLPJEYAS-RGURZIINSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Methyloctan-3-ylamino)ethanol
CID 21515086
2-(5-Methylnonan-3-ylamino)ethanol
CID 21515093
2-(5-Methyloctan-3-ylamino)ethanol
CID 21515094
2-(3,7-Dimethyloctylamino)propan-1-ol
CID 54489076
2-butyl-N-methylcyclobutan-1-amine;propan-1-ol
CID 71071837
propan-1-ol;N,2,2-trimethylcyclopentan-1-amine
CID 89249500
2-[(2-Methyl-2-propylpentyl)amino]ethanol
CID 141801844
2-(Cyclobutylmethylamino)-1-cyclopentyl-3-methylbutan-1-ol
CID 156145598
4,4-Dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol
CID 163242997
(2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol
CID 163243127
4,4-Dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol
CID 167016609
4,4-Dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol
CID 167016627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol?
The IUPAC name of (2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol (CID 131107125) is (2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol is C[C@@H](CO)NC1CCC12CCCC2.
What is the InChIKey of (2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol?
The InChIKey is WOJFAVWLPJEYAS-RGURZIINSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(8-13)12-10-4-7-11(10)5-2-3-6-11/h9-10,12-13H,2-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of (2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol?
(2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol is sourced from PubChem (CID 131107125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).