4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol

C13H25NO — CID 167016627

IUPAC4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol
SMILESCC(C)(C)CC(CO)NC1CC2(CC2)C1
InChIInChI=1S/C13H25NO/c1-12(2,3)6-11(9-15)14-10-7-13(8-10)4-5-13/h10-11,14-15H,4-9H2,1-3H3
InChIKeyGUHGHSRJVJETAT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.32
Rot. Bonds4

About 4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol

4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol (PubChem CID 167016627) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol
PubChem CID167016627
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol
SMILESCC(C)(C)CC(CO)NC1CC2(CC2)C1
InChIInChI=1S/C13H25NO/c1-12(2,3)6-11(9-15)14-10-7-13(8-10)4-5-13/h10-11,14-15H,4-9H2,1-3H3
InChIKeyGUHGHSRJVJETAT-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Azaspiro(3.4)octan-5-yl)methanol hydrochloride
CID 145913144
(2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
CID 163243040
2-(Spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
CID 167016786
2-[[6-(Methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
CID 163245079
1-Fluoro-3-({spiro[2.3]hexan-1-yl}amino)propan-2-ol
CID 165598363
2-Cyclobutyl-2-(2-methylpropylamino)ethanol
CID 54267325
[1-[2-(Methylamino)ethyl]cyclobutyl]methanol
CID 54386513
(2S)-2-(cyclobutylamino)-4-methylpentan-1-ol
CID 59084882
4,4-Dimethyl-2-(propan-2-ylamino)pentan-1-ol
CID 62950618
2-(Ethylamino)-4,4-dimethylpentan-1-ol
CID 62951167
4,4-Dimethyl-2-(methylamino)pentan-1-ol
CID 62951169
[1-(2,2-Dimethylpropylamino)-3-ethylcyclobutyl]methanol
CID 68762528

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol (CID 167016627) is 4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol is CC(C)(C)CC(CO)NC1CC2(CC2)C1.
What is the InChIKey of 4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol?
The InChIKey is GUHGHSRJVJETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)6-11(9-15)14-10-7-13(8-10)4-5-13/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol?
4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol is sourced from PubChem (CID 167016627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).