5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol

C13H29NO — CID 102672783

IUPAC5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCNCC(C)(C)CCCO
InChIInChI=1S/C13H29NO/c1-12(2,3)8-9-14-11-13(4,5)7-6-10-15/h14-15H,6-11H2,1-5H3
InChIKeyFGRWYCNVMRWJPS-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.81
Rot. Bonds7

About 5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol

5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol (PubChem CID 102672783) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol
PubChem CID102672783
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCNCC(C)(C)CCCO
InChIInChI=1S/C13H29NO/c1-12(2,3)8-9-14-11-13(4,5)7-6-10-15/h14-15H,6-11H2,1-5H3
InChIKeyFGRWYCNVMRWJPS-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

5-(Isopropylamino)pentanol
CID 414092
6-(6-Hydroxy-5,5-dimethylhexylamino)-2,2-dimethylhexan-1-ol
CID 11572614
2-Methyl-2-(piperidin-4-yl)propan-1-ol
CID 13478140
(3-Methylpiperidin-3-yl)methanol
CID 19594566
(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-(Methoxymethyl)piperidin-3-yl]methanol
CID 103984996
(3-Ethylpiperidin-3-YL)methanol
CID 44827704
2-(4-Methylpiperidin-4-yl)ethan-1-ol
CID 55286905
(5-Fluoro-3,5-dimethylpiperidin-3-yl)methanol
CID 176680289
5-(5-Hydroxypentylamino)pentan-1-ol
CID 12664433

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol (CID 102672783) is 5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol is CC(C)(C)CCNCC(C)(C)CCCO.
What is the InChIKey of 5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is FGRWYCNVMRWJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-12(2,3)8-9-14-11-13(4,5)7-6-10-15/h14-15H,6-11H2,1-5H3.
What are the key properties of 5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol?
5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 102672783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).