(2E)-7-methoxy-N-methylocta-2,7-dien-3-amine

C10H19NO — CID 143087953

IUPAC(2E)-7-methoxy-N-methylocta-2,7-dien-3-amine
SMILESC=C(CCC/C(=C\C)NC)OC
InChIInChI=1S/C10H19NO/c1-5-10(11-3)8-6-7-9(2)12-4/h5,11H,2,6-8H2,1,3-4H3/b10-5+
InChIKeyXKZIOAILHVUQNE-BJMVGYQFSA-N
MW169.27 g/mol
LogP2.44
Rot. Bonds6

About (2E)-7-methoxy-N-methylocta-2,7-dien-3-amine

(2E)-7-methoxy-N-methylocta-2,7-dien-3-amine (PubChem CID 143087953) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2E)-7-methoxy-N-methylocta-2,7-dien-3-amine.

Molecular Properties

Compound Name(2E)-7-methoxy-N-methylocta-2,7-dien-3-amine
PubChem CID143087953
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2E)-7-methoxy-N-methylocta-2,7-dien-3-amine
SMILESC=C(CCC/C(=C\C)NC)OC
InChIInChI=1S/C10H19NO/c1-5-10(11-3)8-6-7-9(2)12-4/h5,11H,2,6-8H2,1,3-4H3/b10-5+
InChIKeyXKZIOAILHVUQNE-BJMVGYQFSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.44
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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Related Compounds

6-methoxy-N-methylhex-1-en-2-amine
CID 142049922
(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine
CID 177319970

Frequently Asked Questions

What is the IUPAC name of (2E)-7-methoxy-N-methylocta-2,7-dien-3-amine?
The IUPAC name of (2E)-7-methoxy-N-methylocta-2,7-dien-3-amine (CID 143087953) is (2E)-7-methoxy-N-methylocta-2,7-dien-3-amine.
What is the SMILES notation for (2E)-7-methoxy-N-methylocta-2,7-dien-3-amine?
The canonical SMILES for (2E)-7-methoxy-N-methylocta-2,7-dien-3-amine is C=C(CCC/C(=C\C)NC)OC.
What is the InChIKey of (2E)-7-methoxy-N-methylocta-2,7-dien-3-amine?
The InChIKey is XKZIOAILHVUQNE-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-10(11-3)8-6-7-9(2)12-4/h5,11H,2,6-8H2,1,3-4H3/b10-5+.
What are the key properties of (2E)-7-methoxy-N-methylocta-2,7-dien-3-amine?
(2E)-7-methoxy-N-methylocta-2,7-dien-3-amine has a molecular weight of 169.27 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-7-methoxy-N-methylocta-2,7-dien-3-amine is sourced from PubChem (CID 143087953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).