4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol

C13H29NO2 — CID 144530358

IUPAC4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(CC(C)(C)O)NC(C)(C)CC(C)(C)O
InChIInChI=1S/C13H29NO2/c1-10(8-12(4,5)15)14-11(2,3)9-13(6,7)16/h10,14-16H,8-9H2,1-7H3
InChIKeyYYIXZTSNDTZFTM-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.07
Rot. Bonds6

About 4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol

4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 144530358) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID144530358
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(CC(C)(C)O)NC(C)(C)CC(C)(C)O
InChIInChI=1S/C13H29NO2/c1-10(8-12(4,5)15)14-11(2,3)9-13(6,7)16/h10,14-16H,8-9H2,1-7H3
InChIKeyYYIXZTSNDTZFTM-UHFFFAOYSA-N
XLogP2.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 146799424
2-methylpentane-2,4-diol
CID 7870
2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol
CID 15152905
(2R)-4-hydroxy-2,4-dimethylpentanoic acid
CID 168758888
alumane;2,4-dimethylpentane-2,4-diol
CID 175404238
N-tert-butyl-4,4-dimethylpentan-2-amine
CID 123997936
(4S)-5-amino-2,4-dimethylpentan-2-ol
CID 97010229
5-amino-2,4-dimethylpentan-2-ol
CID 83681746
N-hexan-2-yl-2,4,4-trimethylpentan-2-amine
CID 43788200
5-amino-2,4,4-trimethylhexan-2-ol
CID 123389058
4-(2-hydroxypropan-2-yl)-2,6-dimethylheptane-2,6-diol
CID 87814111
2-N,2,4-trimethyl-2-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 146200447

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol (CID 144530358) is 4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol is CC(CC(C)(C)O)NC(C)(C)CC(C)(C)O.
What is the InChIKey of 4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is YYIXZTSNDTZFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-10(8-12(4,5)15)14-11(2,3)9-13(6,7)16/h10,14-16H,8-9H2,1-7H3.
What are the key properties of 4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 144530358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).