5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol

C13H29NO — CID 115756964

IUPAC5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol
SMILESCCC(CC)CNCCCC(C)(C)CO
InChIInChI=1S/C13H29NO/c1-5-12(6-2)10-14-9-7-8-13(3,4)11-15/h12,14-15H,5-11H2,1-4H3
InChIKeyNPFCDXUXPSTWSL-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.81
Rot. Bonds9

About 5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol

5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol (PubChem CID 115756964) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol
PubChem CID115756964
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol
SMILESCCC(CC)CNCCCC(C)(C)CO
InChIInChI=1S/C13H29NO/c1-5-12(6-2)10-14-9-7-8-13(3,4)11-15/h12,14-15H,5-11H2,1-4H3
InChIKeyNPFCDXUXPSTWSL-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methylpiperidin-4-yl)ethan-1-ol
CID 13419581
2-Methyl-2-(piperidin-4-yl)propan-1-ol
CID 13478140
2-(Piperidin-4-yl)propan-1-ol
CID 22928829
(3-Ethylpiperidin-3-yl)methanol hydrochloride
CID 75467424
2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride
CID 165761211
(3-(Propan-2-yl)piperidin-3-yl)methanol
CID 84072936
(3-Ethylpiperidin-3-YL)methanol
CID 44827704
2-(4-Methylpiperidin-4-yl)ethan-1-ol
CID 55286905
2-Tert-butyl-1-(2-fluoroethylamino)-4,4-dimethylpentan-1-ol
CID 155053226
2-[(2S,3S)-2-fluoro-3,4-dimethylpyrrolidin-3-yl]propan-1-ol
CID 173992720
3-(1,5,9-Triazacyclododec-3-yl)propan-1-ol
CID 91025701
5-(1,1-Difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 106144229

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol?
The IUPAC name of 5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol (CID 115756964) is 5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol.
What is the SMILES notation for 5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol?
The canonical SMILES for 5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol is CCC(CC)CNCCCC(C)(C)CO.
What is the InChIKey of 5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol?
The InChIKey is NPFCDXUXPSTWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-12(6-2)10-14-9-7-8-13(3,4)11-15/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol?
5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 115756964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).