(E,1S)-1-methoxynon-6-en-1-amine

C10H21NO — CID 155052763

IUPAC(E,1S)-1-methoxynon-6-en-1-amine
SMILESCC/C=C/CCCC[C@@H](N)OC
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-10(11)12-2/h4-5,10H,3,6-9,11H2,1-2H3/b5-4+/t10-/m0/s1
InChIKeyQSVJBAPIYZQPDR-YEZKRMTDSA-N
MW171.28 g/mol
LogP2.44
Rot. Bonds7

About (E,1S)-1-methoxynon-6-en-1-amine

(E,1S)-1-methoxynon-6-en-1-amine (PubChem CID 155052763) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E,1S)-1-methoxynon-6-en-1-amine.

Molecular Properties

Compound Name(E,1S)-1-methoxynon-6-en-1-amine
PubChem CID155052763
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E,1S)-1-methoxynon-6-en-1-amine
SMILESCC/C=C/CCCC[C@@H](N)OC
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-10(11)12-2/h4-5,10H,3,6-9,11H2,1-2H3/b5-4+/t10-/m0/s1
InChIKeyQSVJBAPIYZQPDR-YEZKRMTDSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,1S)-1-methoxynon-6-en-1-amine?
The IUPAC name of (E,1S)-1-methoxynon-6-en-1-amine (CID 155052763) is (E,1S)-1-methoxynon-6-en-1-amine.
What is the SMILES notation for (E,1S)-1-methoxynon-6-en-1-amine?
The canonical SMILES for (E,1S)-1-methoxynon-6-en-1-amine is CC/C=C/CCCC[C@@H](N)OC.
What is the InChIKey of (E,1S)-1-methoxynon-6-en-1-amine?
The InChIKey is QSVJBAPIYZQPDR-YEZKRMTDSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-10(11)12-2/h4-5,10H,3,6-9,11H2,1-2H3/b5-4+/t10-/m0/s1.
What are the key properties of (E,1S)-1-methoxynon-6-en-1-amine?
(E,1S)-1-methoxynon-6-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-1-methoxynon-6-en-1-amine is sourced from PubChem (CID 155052763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).