4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol

C13H29NO — CID 115721181

IUPAC4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol
SMILESCC(C)CC(C)NCC(O)CC(C)(C)C
InChIInChI=1S/C13H29NO/c1-10(2)7-11(3)14-9-12(15)8-13(4,5)6/h10-12,14-15H,7-9H2,1-6H3
InChIKeyJNIACYFGLUGURI-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.81
Rot. Bonds6

About 4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol

4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol (PubChem CID 115721181) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol
PubChem CID115721181
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol
SMILESCC(C)CC(C)NCC(O)CC(C)(C)C
InChIInChI=1S/C13H29NO/c1-10(2)7-11(3)14-9-12(15)8-13(4,5)6/h10-12,14-15H,7-9H2,1-6H3
InChIKeyJNIACYFGLUGURI-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

1-(Tert-butylamino)-4-methylpentan-2-ol
CID 534387
1-(Cyclopropylamino)-3,3-dimethylbutan-2-ol
CID 62773739
Cambridge id 5278743
CID 2839167
t-Butylleucinol
CID 59118614
1-(Tert-butylamino)pentan-2-ol
CID 62774523
4-Tert-butylpiperidin-3-ol
CID 58530532
2-[(4-Methylpentan-2-yl)amino]ethanol
CID 276939
1-[(4-Methylpentan-2-yl)amino]propan-2-ol
CID 277591
(2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
CID 11788561
4-Methyl-1-(methylamino)pentan-2-ol
CID 15892886
1-(Cyclohexylamino)-3,3-dimethylbutan-2-ol
CID 12263165
(2R,3S)-2-tert-butylpiperidin-3-ol
CID 45083217

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol (CID 115721181) is 4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol is CC(C)CC(C)NCC(O)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol?
The InChIKey is JNIACYFGLUGURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-10(2)7-11(3)14-9-12(15)8-13(4,5)6/h10-12,14-15H,7-9H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol?
4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol has a molecular weight of 215.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 115721181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).