(2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine

C13H23NO — CID 89134065

IUPAC(2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine
SMILESC=C(C)/C=C\C=C(/C)O[C@H](C)CN(C)C
InChIInChI=1S/C13H23NO/c1-11(2)8-7-9-12(3)15-13(4)10-14(5)6/h7-9,13H,1,10H2,2-6H3/b8-7-,12-9+/t13-/m1/s1
InChIKeyBOLCTUMRNKYITE-GSNYFQKJSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds6

About (2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine

(2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine (PubChem CID 89134065) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine
PubChem CID89134065
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine
SMILESC=C(C)/C=C\C=C(/C)O[C@H](C)CN(C)C
InChIInChI=1S/C13H23NO/c1-11(2)8-7-9-12(3)15-13(4)10-14(5)6/h7-9,13H,1,10H2,2-6H3/b8-7-,12-9+/t13-/m1/s1
InChIKeyBOLCTUMRNKYITE-GSNYFQKJSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
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 (2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine?
The IUPAC name of (2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine (CID 89134065) is (2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine?
The canonical SMILES for (2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine is C=C(C)/C=C\C=C(/C)O[C@H](C)CN(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine?
The InChIKey is BOLCTUMRNKYITE-GSNYFQKJSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)8-7-9-12(3)15-13(4)10-14(5)6/h7-9,13H,1,10H2,2-6H3/b8-7-,12-9+/t13-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine?
(2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine is sourced from PubChem (CID 89134065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).