(6S)-6-amino-2-methylheptan-2-ol

C8H19NO — CID 6604269

IUPAC(6S)-6-amino-2-methylheptan-2-ol
SMILESC[C@H](N)CCCC(C)(C)O
InChIInChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyLREQLEBVOXIEOM-ZETCQYMHSA-N
MW145.25 g/mol
LogP1.27
Rot. Bonds4

About (6S)-6-amino-2-methylheptan-2-ol

(6S)-6-amino-2-methylheptan-2-ol (PubChem CID 6604269) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (6S)-6-amino-2-methylheptan-2-ol.

Molecular Properties

Compound Name(6S)-6-amino-2-methylheptan-2-ol
PubChem CID6604269
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(6S)-6-amino-2-methylheptan-2-ol
SMILESC[C@H](N)CCCC(C)(C)O
InChIInChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyLREQLEBVOXIEOM-ZETCQYMHSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-amino-2-methylheptan-2-ol?
The IUPAC name of (6S)-6-amino-2-methylheptan-2-ol (CID 6604269) is (6S)-6-amino-2-methylheptan-2-ol.
What is the SMILES notation for (6S)-6-amino-2-methylheptan-2-ol?
The canonical SMILES for (6S)-6-amino-2-methylheptan-2-ol is C[C@H](N)CCCC(C)(C)O.
What is the InChIKey of (6S)-6-amino-2-methylheptan-2-ol?
The InChIKey is LREQLEBVOXIEOM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1.
What are the key properties of (6S)-6-amino-2-methylheptan-2-ol?
(6S)-6-amino-2-methylheptan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-amino-2-methylheptan-2-ol is sourced from PubChem (CID 6604269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).