(2R)-2-amino-4-methylpent-4-en-1-ol

C6H13NO — CID 129366802

IUPAC(2R)-2-amino-4-methylpent-4-en-1-ol
SMILESC=C(C)C[C@@H](N)CO
InChIInChI=1S/C6H13NO/c1-5(2)3-6(7)4-8/h6,8H,1,3-4,7H2,2H3/t6-/m1/s1
InChIKeyKQHRVUHDVSRZHO-ZCFIWIBFSA-N
MW115.18 g/mol
LogP0.27
Rot. Bonds3

About (2R)-2-amino-4-methylpent-4-en-1-ol

(2R)-2-amino-4-methylpent-4-en-1-ol (PubChem CID 129366802) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2R)-2-amino-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-4-methylpent-4-en-1-ol
PubChem CID129366802
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2R)-2-amino-4-methylpent-4-en-1-ol
SMILESC=C(C)C[C@@H](N)CO
InChIInChI=1S/C6H13NO/c1-5(2)3-6(7)4-8/h6,8H,1,3-4,7H2,2H3/t6-/m1/s1
InChIKeyKQHRVUHDVSRZHO-ZCFIWIBFSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylpent-4-en-1-ol?
The IUPAC name of (2R)-2-amino-4-methylpent-4-en-1-ol (CID 129366802) is (2R)-2-amino-4-methylpent-4-en-1-ol.
What is the SMILES notation for (2R)-2-amino-4-methylpent-4-en-1-ol?
The canonical SMILES for (2R)-2-amino-4-methylpent-4-en-1-ol is C=C(C)C[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-4-methylpent-4-en-1-ol?
The InChIKey is KQHRVUHDVSRZHO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)3-6(7)4-8/h6,8H,1,3-4,7H2,2H3/t6-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylpent-4-en-1-ol?
(2R)-2-amino-4-methylpent-4-en-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylpent-4-en-1-ol is sourced from PubChem (CID 129366802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).