1-amino-3,3,4-trimethylpentan-2-ol

C8H19NO — CID 83694403

IUPAC1-amino-3,3,4-trimethylpentan-2-ol
SMILESCC(C)C(C)(C)C(O)CN
InChIInChI=1S/C8H19NO/c1-6(2)8(3,4)7(10)5-9/h6-7,10H,5,9H2,1-4H3
InChIKeyYOGUDFMOLRUKEE-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.99
Rot. Bonds3

About 1-amino-3,3,4-trimethylpentan-2-ol

1-amino-3,3,4-trimethylpentan-2-ol (PubChem CID 83694403) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-amino-3,3,4-trimethylpentan-2-ol.

Molecular Properties

Compound Name1-amino-3,3,4-trimethylpentan-2-ol
PubChem CID83694403
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-amino-3,3,4-trimethylpentan-2-ol
SMILESCC(C)C(C)(C)C(O)CN
InChIInChI=1S/C8H19NO/c1-6(2)8(3,4)7(10)5-9/h6-7,10H,5,9H2,1-4H3
InChIKeyYOGUDFMOLRUKEE-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol
CID 19706253
4,4,5-trimethylhexane-1,3-diol
CID 162719474
1-amino-3-methoxy-3-methylbutan-2-ol
CID 55285086
1-amino-3-methyl-3-(methylamino)butan-2-ol
CID 139754066
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
(2S)-3-amino-1,1,1-trifluoropropan-2-ol
CID 2779001
1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol
CID 167261878
(E)-4-(2-hydroxy-3,3,4-trimethylpentoxy)-4-oxobut-2-enoic acid
CID 139651963
2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol
CID 87217898
3-amino-N-tert-butyl-2-hydroxy-N-methylpropanamide
CID 115180350
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
CID 6395069

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3,4-trimethylpentan-2-ol?
The IUPAC name of 1-amino-3,3,4-trimethylpentan-2-ol (CID 83694403) is 1-amino-3,3,4-trimethylpentan-2-ol.
What is the SMILES notation for 1-amino-3,3,4-trimethylpentan-2-ol?
The canonical SMILES for 1-amino-3,3,4-trimethylpentan-2-ol is CC(C)C(C)(C)C(O)CN.
What is the InChIKey of 1-amino-3,3,4-trimethylpentan-2-ol?
The InChIKey is YOGUDFMOLRUKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-6(2)8(3,4)7(10)5-9/h6-7,10H,5,9H2,1-4H3.
What are the key properties of 1-amino-3,3,4-trimethylpentan-2-ol?
1-amino-3,3,4-trimethylpentan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3,4-trimethylpentan-2-ol is sourced from PubChem (CID 83694403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).