(2S)-5-methoxyhex-5-en-2-amine

C7H15NO — CID 176689752

IUPAC(2S)-5-methoxyhex-5-en-2-amine
SMILESC=C(CC[C@H](C)N)OC
InChIInChI=1S/C7H15NO/c1-6(8)4-5-7(2)9-3/h6H,2,4-5,8H2,1,3H3/t6-/m0/s1
InChIKeyFPJWHEQPBJKISH-LURJTMIESA-N
MW129.20 g/mol
LogP1.27
Rot. Bonds4

About (2S)-5-methoxyhex-5-en-2-amine

(2S)-5-methoxyhex-5-en-2-amine (PubChem CID 176689752) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2S)-5-methoxyhex-5-en-2-amine.

Molecular Properties

Compound Name(2S)-5-methoxyhex-5-en-2-amine
PubChem CID176689752
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2S)-5-methoxyhex-5-en-2-amine
SMILESC=C(CC[C@H](C)N)OC
InChIInChI=1S/C7H15NO/c1-6(8)4-5-7(2)9-3/h6H,2,4-5,8H2,1,3H3/t6-/m0/s1
InChIKeyFPJWHEQPBJKISH-LURJTMIESA-N
XLogP1.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-Aminohex-1-en-2-ol
CID 88251876
4-Methoxypent-4-en-1-amine
CID 89344047
5-Methoxyhex-5-en-1-amine
CID 123148331
4-Methoxypent-4-en-2-amine
CID 123621795
4-Ethoxypent-4-en-1-amine
CID 139310574
(2R)-4-methoxypent-4-en-2-amine
CID 144958528
6-Methoxyhex-1-en-3-amine
CID 65588358
2-Methoxyhex-1-en-3-amine
CID 142372892
5-[(2-Methylpropan-2-yl)oxy]hex-5-en-2-amine
CID 143625369

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxyhex-5-en-2-amine?
The IUPAC name of (2S)-5-methoxyhex-5-en-2-amine (CID 176689752) is (2S)-5-methoxyhex-5-en-2-amine.
What is the SMILES notation for (2S)-5-methoxyhex-5-en-2-amine?
The canonical SMILES for (2S)-5-methoxyhex-5-en-2-amine is C=C(CC[C@H](C)N)OC.
What is the InChIKey of (2S)-5-methoxyhex-5-en-2-amine?
The InChIKey is FPJWHEQPBJKISH-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO/c1-6(8)4-5-7(2)9-3/h6H,2,4-5,8H2,1,3H3/t6-/m0/s1.
What are the key properties of (2S)-5-methoxyhex-5-en-2-amine?
(2S)-5-methoxyhex-5-en-2-amine has a molecular weight of 129.20 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxyhex-5-en-2-amine is sourced from PubChem (CID 176689752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).