(3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine

C10H19NO — CID 134333960

IUPAC(3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine
SMILESC=C(/C=C(\CC)OC)NCCC
InChIInChI=1S/C10H19NO/c1-5-7-11-9(3)8-10(6-2)12-4/h8,11H,3,5-7H2,1-2,4H3/b10-8+
InChIKeyCBVPAIIDEBPKNV-CSKARUKUSA-N
MW169.27 g/mol
LogP2.44
Rot. Bonds6

About (3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine

(3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine (PubChem CID 134333960) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine
PubChem CID134333960
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine
SMILESC=C(/C=C(\CC)OC)NCCC
InChIInChI=1S/C10H19NO/c1-5-7-11-9(3)8-10(6-2)12-4/h8,11H,3,5-7H2,1-2,4H3/b10-8+
InChIKeyCBVPAIIDEBPKNV-CSKARUKUSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine?
The IUPAC name of (3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine (CID 134333960) is (3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine is C=C(/C=C(\CC)OC)NCCC.
What is the InChIKey of (3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine?
The InChIKey is CBVPAIIDEBPKNV-CSKARUKUSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7-11-9(3)8-10(6-2)12-4/h8,11H,3,5-7H2,1-2,4H3/b10-8+.
What are the key properties of (3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine?
(3E)-4-methoxy-N-propylhexa-1,3-dien-2-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 (3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine is sourced from PubChem (CID 134333960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).