(3R)-5-methoxypent-1-en-3-amine

C6H13NO — CID 137495270

IUPAC(3R)-5-methoxypent-1-en-3-amine
SMILESC=C[C@H](N)CCOC
InChIInChI=1S/C6H13NO/c1-3-6(7)4-5-8-2/h3,6H,1,4-5,7H2,2H3/t6-/m0/s1
InChIKeySQKUZTBTFOQBPC-LURJTMIESA-N
MW115.18 g/mol
LogP0.54
Rot. Bonds4

About (3R)-5-methoxypent-1-en-3-amine

(3R)-5-methoxypent-1-en-3-amine (PubChem CID 137495270) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (3R)-5-methoxypent-1-en-3-amine.

Molecular Properties

Compound Name(3R)-5-methoxypent-1-en-3-amine
PubChem CID137495270
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(3R)-5-methoxypent-1-en-3-amine
SMILESC=C[C@H](N)CCOC
InChIInChI=1S/C6H13NO/c1-3-6(7)4-5-8-2/h3,6H,1,4-5,7H2,2H3/t6-/m0/s1
InChIKeySQKUZTBTFOQBPC-LURJTMIESA-N
XLogP0.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
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 (3R)-5-methoxypent-1-en-3-amine?
The IUPAC name of (3R)-5-methoxypent-1-en-3-amine (CID 137495270) is (3R)-5-methoxypent-1-en-3-amine.
What is the SMILES notation for (3R)-5-methoxypent-1-en-3-amine?
The canonical SMILES for (3R)-5-methoxypent-1-en-3-amine is C=C[C@H](N)CCOC.
What is the InChIKey of (3R)-5-methoxypent-1-en-3-amine?
The InChIKey is SQKUZTBTFOQBPC-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO/c1-3-6(7)4-5-8-2/h3,6H,1,4-5,7H2,2H3/t6-/m0/s1.
What are the key properties of (3R)-5-methoxypent-1-en-3-amine?
(3R)-5-methoxypent-1-en-3-amine has a molecular weight of 115.18 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxypent-1-en-3-amine is sourced from PubChem (CID 137495270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).