(2R)-5-amino-6-methylideneoctan-2-ol

C9H19NO — CID 145401107

IUPAC(2R)-5-amino-6-methylideneoctan-2-ol
SMILESC=C(CC)C(N)CC[C@@H](C)O
InChIInChI=1S/C9H19NO/c1-4-7(2)9(10)6-5-8(3)11/h8-9,11H,2,4-6,10H2,1,3H3/t8-,9?/m1/s1
InChIKeyAFPJCVJTOKEOLP-VEDVMXKPSA-N
MW157.26 g/mol
LogP1.44
Rot. Bonds5

About (2R)-5-amino-6-methylideneoctan-2-ol

(2R)-5-amino-6-methylideneoctan-2-ol (PubChem CID 145401107) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R)-5-amino-6-methylideneoctan-2-ol.

Molecular Properties

Compound Name(2R)-5-amino-6-methylideneoctan-2-ol
PubChem CID145401107
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2R)-5-amino-6-methylideneoctan-2-ol
SMILESC=C(CC)C(N)CC[C@@H](C)O
InChIInChI=1S/C9H19NO/c1-4-7(2)9(10)6-5-8(3)11/h8-9,11H,2,4-6,10H2,1,3H3/t8-,9?/m1/s1
InChIKeyAFPJCVJTOKEOLP-VEDVMXKPSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-Amino-14-methylideneicosane-1,3-diol
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6-Aminonona-7,8-dien-3-ol
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7-Amino-5-methylideneoctan-1-ol
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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-6-methylideneoctan-2-ol?
The IUPAC name of (2R)-5-amino-6-methylideneoctan-2-ol (CID 145401107) is (2R)-5-amino-6-methylideneoctan-2-ol.
What is the SMILES notation for (2R)-5-amino-6-methylideneoctan-2-ol?
The canonical SMILES for (2R)-5-amino-6-methylideneoctan-2-ol is C=C(CC)C(N)CC[C@@H](C)O.
What is the InChIKey of (2R)-5-amino-6-methylideneoctan-2-ol?
The InChIKey is AFPJCVJTOKEOLP-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-7(2)9(10)6-5-8(3)11/h8-9,11H,2,4-6,10H2,1,3H3/t8-,9?/m1/s1.
What are the key properties of (2R)-5-amino-6-methylideneoctan-2-ol?
(2R)-5-amino-6-methylideneoctan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-6-methylideneoctan-2-ol is sourced from PubChem (CID 145401107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).