(2R)-1-hept-6-enoxy-3-methylbutan-2-amine

C12H25NO — CID 90282345

IUPAC(2R)-1-hept-6-enoxy-3-methylbutan-2-amine
SMILESC=CCCCCCOC[C@H](N)C(C)C
InChIInChI=1S/C12H25NO/c1-4-5-6-7-8-9-14-10-12(13)11(2)3/h4,11-12H,1,5-10,13H2,2-3H3/t12-/m0/s1
InChIKeyZCCPKKDRDRBIDY-LBPRGKRZSA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds9

About (2R)-1-hept-6-enoxy-3-methylbutan-2-amine

(2R)-1-hept-6-enoxy-3-methylbutan-2-amine (PubChem CID 90282345) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2R)-1-hept-6-enoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-1-hept-6-enoxy-3-methylbutan-2-amine
PubChem CID90282345
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2R)-1-hept-6-enoxy-3-methylbutan-2-amine
SMILESC=CCCCCCOC[C@H](N)C(C)C
InChIInChI=1S/C12H25NO/c1-4-5-6-7-8-9-14-10-12(13)11(2)3/h4,11-12H,1,5-10,13H2,2-3H3/t12-/m0/s1
InChIKeyZCCPKKDRDRBIDY-LBPRGKRZSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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 (2R)-1-hept-6-enoxy-3-methylbutan-2-amine?
The IUPAC name of (2R)-1-hept-6-enoxy-3-methylbutan-2-amine (CID 90282345) is (2R)-1-hept-6-enoxy-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-1-hept-6-enoxy-3-methylbutan-2-amine?
The canonical SMILES for (2R)-1-hept-6-enoxy-3-methylbutan-2-amine is C=CCCCCCOC[C@H](N)C(C)C.
What is the InChIKey of (2R)-1-hept-6-enoxy-3-methylbutan-2-amine?
The InChIKey is ZCCPKKDRDRBIDY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-6-7-8-9-14-10-12(13)11(2)3/h4,11-12H,1,5-10,13H2,2-3H3/t12-/m0/s1.
What are the key properties of (2R)-1-hept-6-enoxy-3-methylbutan-2-amine?
(2R)-1-hept-6-enoxy-3-methylbutan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-hept-6-enoxy-3-methylbutan-2-amine is sourced from PubChem (CID 90282345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).