(3R)-2-amino-3,4,4-trimethylpentan-2-ol

C8H19NO — CID 139473324

IUPAC(3R)-2-amino-3,4,4-trimethylpentan-2-ol
SMILESC[C@H](C(C)(C)C)C(C)(N)O
InChIInChI=1S/C8H19NO/c1-6(7(2,3)4)8(5,9)10/h6,10H,9H2,1-5H3/t6-,8?/m1/s1
InChIKeyNEROTDMTONZEEC-XPJFZRNWSA-N
MW145.25 g/mol
LogP1.34
Rot. Bonds1

About (3R)-2-amino-3,4,4-trimethylpentan-2-ol

(3R)-2-amino-3,4,4-trimethylpentan-2-ol (PubChem CID 139473324) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (3R)-2-amino-3,4,4-trimethylpentan-2-ol.

Molecular Properties

Compound Name(3R)-2-amino-3,4,4-trimethylpentan-2-ol
PubChem CID139473324
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(3R)-2-amino-3,4,4-trimethylpentan-2-ol
SMILESC[C@H](C(C)(C)C)C(C)(N)O
InChIInChI=1S/C8H19NO/c1-6(7(2,3)4)8(5,9)10/h6,10H,9H2,1-5H3/t6-,8?/m1/s1
InChIKeyNEROTDMTONZEEC-XPJFZRNWSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2,4,5,5-tetramethylhexan-3-ol
CID 130506923
4-amino-2,3,4-trimethylpentan-2-ol
CID 146264907
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
alumane;2-aminopropan-2-ol
CID 175409057
2-aminopropan-2-ol;copper
CID 87854275
1-aminoethane-1,1-diol;hydrochloride
CID 173034802
(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol
CID 126592685
(2S)-1-aminopropane-1,1,2-triol
CID 25141054
5-amino-4-hydroxy-2,4,5-trimethylhexan-3-one
CID 135136590
3,4,5-trimethylhexane-2,3-diol
CID 67159638
3-tert-butyl-4,4-dimethylpentan-2-ol
CID 59805518
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096

Frequently Asked Questions

What is the IUPAC name of (3R)-2-amino-3,4,4-trimethylpentan-2-ol?
The IUPAC name of (3R)-2-amino-3,4,4-trimethylpentan-2-ol (CID 139473324) is (3R)-2-amino-3,4,4-trimethylpentan-2-ol.
What is the SMILES notation for (3R)-2-amino-3,4,4-trimethylpentan-2-ol?
The canonical SMILES for (3R)-2-amino-3,4,4-trimethylpentan-2-ol is C[C@H](C(C)(C)C)C(C)(N)O.
What is the InChIKey of (3R)-2-amino-3,4,4-trimethylpentan-2-ol?
The InChIKey is NEROTDMTONZEEC-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H19NO/c1-6(7(2,3)4)8(5,9)10/h6,10H,9H2,1-5H3/t6-,8?/m1/s1.
What are the key properties of (3R)-2-amino-3,4,4-trimethylpentan-2-ol?
(3R)-2-amino-3,4,4-trimethylpentan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-amino-3,4,4-trimethylpentan-2-ol is sourced from PubChem (CID 139473324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).