(E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine

C12H25NO — CID 166735030

IUPAC(E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine
SMILESC/C=C/C[C@@H](CCC)CCN(C)OC
InChIInChI=1S/C12H25NO/c1-5-7-9-12(8-6-2)10-11-13(3)14-4/h5,7,12H,6,8-11H2,1-4H3/b7-5+/t12-/m1/s1
InChIKeyORPQDPIMMGVTLI-HOSRBBHYSA-N
MW199.34 g/mol
LogP3.25
Rot. Bonds8

About (E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine

(E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine (PubChem CID 166735030) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine.

Molecular Properties

Compound Name(E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine
PubChem CID166735030
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine
SMILESC/C=C/C[C@@H](CCC)CCN(C)OC
InChIInChI=1S/C12H25NO/c1-5-7-9-12(8-6-2)10-11-13(3)14-4/h5,7,12H,6,8-11H2,1-4H3/b7-5+/t12-/m1/s1
InChIKeyORPQDPIMMGVTLI-HOSRBBHYSA-N
XLogP3.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine?
The IUPAC name of (E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine (CID 166735030) is (E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine.
What is the SMILES notation for (E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine?
The canonical SMILES for (E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine is C/C=C/C[C@@H](CCC)CCN(C)OC.
What is the InChIKey of (E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine?
The InChIKey is ORPQDPIMMGVTLI-HOSRBBHYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-9-12(8-6-2)10-11-13(3)14-4/h5,7,12H,6,8-11H2,1-4H3/b7-5+/t12-/m1/s1.
What are the key properties of (E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine?
(E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-N-methoxy-N-methyl-3-propylhept-5-en-1-amine is sourced from PubChem (CID 166735030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).