(3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine

C15H29NO2 — CID 142989496

IUPAC(3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine
SMILESC/C=C(OC)\C(=C/CCN(C)CCCCC)OC
InChIInChI=1S/C15H29NO2/c1-6-8-9-12-16(3)13-10-11-15(18-5)14(7-2)17-4/h7,11H,6,8-10,12-13H2,1-5H3/b14-7+,15-11+
InChIKeyZWWMFXRXKMZMBG-LRDJDILRSA-N
MW255.40 g/mol
LogP3.58
Rot. Bonds10

About (3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine

(3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine (PubChem CID 142989496) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine
PubChem CID142989496
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine
SMILESC/C=C(OC)\C(=C/CCN(C)CCCCC)OC
InChIInChI=1S/C15H29NO2/c1-6-8-9-12-16(3)13-10-11-15(18-5)14(7-2)17-4/h7,11H,6,8-10,12-13H2,1-5H3/b14-7+,15-11+
InChIKeyZWWMFXRXKMZMBG-LRDJDILRSA-N
XLogP3.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine?
The IUPAC name of (3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine (CID 142989496) is (3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine?
The canonical SMILES for (3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine is C/C=C(OC)\C(=C/CCN(C)CCCCC)OC.
What is the InChIKey of (3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine?
The InChIKey is ZWWMFXRXKMZMBG-LRDJDILRSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-8-9-12-16(3)13-10-11-15(18-5)14(7-2)17-4/h7,11H,6,8-10,12-13H2,1-5H3/b14-7+,15-11+.
What are the key properties of (3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine?
(3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4,5-dimethoxy-N-methyl-N-pentylhepta-3,5-dien-1-amine is sourced from PubChem (CID 142989496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).