5-amino-2,2-di(propan-2-yl)pentan-1-ol

C11H25NO — CID 123642995

IUPAC5-amino-2,2-di(propan-2-yl)pentan-1-ol
SMILESCC(C)C(CO)(CCCN)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)11(8-13,10(3)4)6-5-7-12/h9-10,13H,5-8,12H2,1-4H3
InChIKeyWHQAUEKJPMXUOF-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.02
Rot. Bonds6

About 5-amino-2,2-di(propan-2-yl)pentan-1-ol

5-amino-2,2-di(propan-2-yl)pentan-1-ol (PubChem CID 123642995) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-amino-2,2-di(propan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5-amino-2,2-di(propan-2-yl)pentan-1-ol
PubChem CID123642995
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5-amino-2,2-di(propan-2-yl)pentan-1-ol
SMILESCC(C)C(CO)(CCCN)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)11(8-13,10(3)4)6-5-7-12/h9-10,13H,5-8,12H2,1-4H3
InChIKeyWHQAUEKJPMXUOF-UHFFFAOYSA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol
CID 174859457
4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine
CID 59061259
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
ethane-1,2-diamine;tetrakis(propane-1,2-diol)
CID 19100522
4-(1-hydroxyethyl)-4-(hydroxymethyl)heptane-1,5-diol
CID 57307077
CID 22016397
CID 22016397
5-amino-2-tert-butylpentan-1-ol
CID 59516739
6-amino-3,3-dimethylhexan-1-ol
CID 134232147
9-amino-2,6-dimethylnonan-2-ol
CID 55254540
[1-hydroxy-4-(hydroxymethyl)-5-methyl-1-(2-methylprop-2-enoyloxy)-4-propan-2-ylhexyl] 2-methylprop-2-enoate
CID 153344762
2-amino-2-(16-aminohexadecyl)propane-1,3-diol
CID 89415252

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2-di(propan-2-yl)pentan-1-ol?
The IUPAC name of 5-amino-2,2-di(propan-2-yl)pentan-1-ol (CID 123642995) is 5-amino-2,2-di(propan-2-yl)pentan-1-ol.
What is the SMILES notation for 5-amino-2,2-di(propan-2-yl)pentan-1-ol?
The canonical SMILES for 5-amino-2,2-di(propan-2-yl)pentan-1-ol is CC(C)C(CO)(CCCN)C(C)C.
What is the InChIKey of 5-amino-2,2-di(propan-2-yl)pentan-1-ol?
The InChIKey is WHQAUEKJPMXUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)11(8-13,10(3)4)6-5-7-12/h9-10,13H,5-8,12H2,1-4H3.
What are the key properties of 5-amino-2,2-di(propan-2-yl)pentan-1-ol?
5-amino-2,2-di(propan-2-yl)pentan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2-di(propan-2-yl)pentan-1-ol is sourced from PubChem (CID 123642995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).