1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine

C12H25NO — CID 90282344

IUPAC1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine
SMILESC=CCCC[C@@H](C)OCC(N)C(C)C
InChIInChI=1S/C12H25NO/c1-5-6-7-8-11(4)14-9-12(13)10(2)3/h5,10-12H,1,6-9,13H2,2-4H3/t11-,12?/m1/s1
InChIKeyHMIUGJGYEKMNQU-JHJMLUEUSA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds8

About 1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine

1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine (PubChem CID 90282344) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine
PubChem CID90282344
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine
SMILESC=CCCC[C@@H](C)OCC(N)C(C)C
InChIInChI=1S/C12H25NO/c1-5-6-7-8-11(4)14-9-12(13)10(2)3/h5,10-12H,1,6-9,13H2,2-4H3/t11-,12?/m1/s1
InChIKeyHMIUGJGYEKMNQU-JHJMLUEUSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine?
The IUPAC name of 1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine (CID 90282344) is 1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine?
The canonical SMILES for 1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine is C=CCCC[C@@H](C)OCC(N)C(C)C.
What is the InChIKey of 1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine?
The InChIKey is HMIUGJGYEKMNQU-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-7-8-11(4)14-9-12(13)10(2)3/h5,10-12H,1,6-9,13H2,2-4H3/t11-,12?/m1/s1.
What are the key properties of 1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine?
1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine is sourced from PubChem (CID 90282344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).