(E)-3-methoxy-N,2-dimethylhept-2-en-1-amine

C10H21NO — CID 166817116

IUPAC(E)-3-methoxy-N,2-dimethylhept-2-en-1-amine
SMILESCCCC/C(OC)=C(/C)CNC
InChIInChI=1S/C10H21NO/c1-5-6-7-10(12-4)9(2)8-11-3/h11H,5-8H2,1-4H3/b10-9+
InChIKeyOGCKSFVKPUOLQO-MDZDMXLPSA-N
MW171.28 g/mol
LogP2.32
Rot. Bonds6

About (E)-3-methoxy-N,2-dimethylhept-2-en-1-amine

(E)-3-methoxy-N,2-dimethylhept-2-en-1-amine (PubChem CID 166817116) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-3-methoxy-N,2-dimethylhept-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-methoxy-N,2-dimethylhept-2-en-1-amine
PubChem CID166817116
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-3-methoxy-N,2-dimethylhept-2-en-1-amine
SMILESCCCC/C(OC)=C(/C)CNC
InChIInChI=1S/C10H21NO/c1-5-6-7-10(12-4)9(2)8-11-3/h11H,5-8H2,1-4H3/b10-9+
InChIKeyOGCKSFVKPUOLQO-MDZDMXLPSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-N,2-dimethylhept-2-en-1-amine?
The IUPAC name of (E)-3-methoxy-N,2-dimethylhept-2-en-1-amine (CID 166817116) is (E)-3-methoxy-N,2-dimethylhept-2-en-1-amine.
What is the SMILES notation for (E)-3-methoxy-N,2-dimethylhept-2-en-1-amine?
The canonical SMILES for (E)-3-methoxy-N,2-dimethylhept-2-en-1-amine is CCCC/C(OC)=C(/C)CNC.
What is the InChIKey of (E)-3-methoxy-N,2-dimethylhept-2-en-1-amine?
The InChIKey is OGCKSFVKPUOLQO-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-7-10(12-4)9(2)8-11-3/h11H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-3-methoxy-N,2-dimethylhept-2-en-1-amine?
(E)-3-methoxy-N,2-dimethylhept-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-N,2-dimethylhept-2-en-1-amine is sourced from PubChem (CID 166817116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).