(2S)-1-methoxypent-4-en-2-amine

C6H13NO — CID 94241337

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

About (2S)-1-methoxypent-4-en-2-amine

(2S)-1-methoxypent-4-en-2-amine (PubChem CID 94241337) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2S)-1-methoxypent-4-en-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxypent-4-en-2-amine
PubChem CID94241337
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2S)-1-methoxypent-4-en-2-amine
SMILESC=CC[C@H](N)COC
InChIInChI=1S/C6H13NO/c1-3-4-6(7)5-8-2/h3,6H,1,4-5,7H2,2H3/t6-/m0/s1
InChIKeyNUCIPTHEMHXHLM-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 (2S)-1-methoxypent-4-en-2-amine?
The IUPAC name of (2S)-1-methoxypent-4-en-2-amine (CID 94241337) is (2S)-1-methoxypent-4-en-2-amine.
What is the SMILES notation for (2S)-1-methoxypent-4-en-2-amine?
The canonical SMILES for (2S)-1-methoxypent-4-en-2-amine is C=CC[C@H](N)COC.
What is the InChIKey of (2S)-1-methoxypent-4-en-2-amine?
The InChIKey is NUCIPTHEMHXHLM-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-6(7)5-8-2/h3,6H,1,4-5,7H2,2H3/t6-/m0/s1.
What are the key properties of (2S)-1-methoxypent-4-en-2-amine?
(2S)-1-methoxypent-4-en-2-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 (2S)-1-methoxypent-4-en-2-amine is sourced from PubChem (CID 94241337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).