(2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine

C16H30N2O — CID 89073999

IUPAC(2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine
SMILESC=CCC(/C(C)=C(/C)CN)N1CC(C)OC(C)C1C
InChIInChI=1S/C16H30N2O/c1-7-8-16(13(4)11(2)9-17)18-10-12(3)19-15(6)14(18)5/h7,12,14-16H,1,8-10,17H2,2-6H3/b13-11-
InChIKeyQRLKJQQURVYASO-QBFSEMIESA-N
MW266.43 g/mol
LogP2.72
Rot. Bonds5

About (2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine

(2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine (PubChem CID 89073999) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine
PubChem CID89073999
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine
SMILESC=CCC(/C(C)=C(/C)CN)N1CC(C)OC(C)C1C
InChIInChI=1S/C16H30N2O/c1-7-8-16(13(4)11(2)9-17)18-10-12(3)19-15(6)14(18)5/h7,12,14-16H,1,8-10,17H2,2-6H3/b13-11-
InChIKeyQRLKJQQURVYASO-QBFSEMIESA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine?
The IUPAC name of (2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine (CID 89073999) is (2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine.
What is the SMILES notation for (2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine?
The canonical SMILES for (2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine is C=CCC(/C(C)=C(/C)CN)N1CC(C)OC(C)C1C.
What is the InChIKey of (2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine?
The InChIKey is QRLKJQQURVYASO-QBFSEMIESA-N. The full InChI is InChI=1S/C16H30N2O/c1-7-8-16(13(4)11(2)9-17)18-10-12(3)19-15(6)14(18)5/h7,12,14-16H,1,8-10,17H2,2-6H3/b13-11-.
What are the key properties of (2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine?
(2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine is sourced from PubChem (CID 89073999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).