(3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

C13H23NO — CID 153334037

IUPAC(3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N(C)CCC(C)OC
InChIInChI=1S/C13H23NO/c1-11(2)7-8-12(3)14(5)10-9-13(4)15-6/h7-8,13H,1,3,9-10H2,2,4-6H3/b8-7-
InChIKeyBLVGRIFJQCRMOI-FPLPWBNLSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds7

About (3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

(3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 153334037) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
PubChem CID153334037
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N(C)CCC(C)OC
InChIInChI=1S/C13H23NO/c1-11(2)7-8-12(3)14(5)10-9-13(4)15-6/h7-8,13H,1,3,9-10H2,2,4-6H3/b8-7-
InChIKeyBLVGRIFJQCRMOI-FPLPWBNLSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (CID 153334037) is (3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is C=C(C)/C=C\C(=C)N(C)CCC(C)OC.
What is the InChIKey of (3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is BLVGRIFJQCRMOI-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)7-8-12(3)14(5)10-9-13(4)15-6/h7-8,13H,1,3,9-10H2,2,4-6H3/b8-7-.
What are the key properties of (3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
(3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 209.33 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 153334037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).