(3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine

C18H32N2O — CID 89355297

IUPAC(3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine
SMILESC=C(NCCN1CCOCC1)/C(=C\C=C(C)C)C(C)(C)C
InChIInChI=1S/C18H32N2O/c1-15(2)7-8-17(18(4,5)6)16(3)19-9-10-20-11-13-21-14-12-20/h7-8,19H,3,9-14H2,1-2,4-6H3/b17-8+
InChIKeyJWIANBLVWPUCPZ-CAOOACKPSA-N
MW292.47 g/mol
LogP3.36
Rot. Bonds6

About (3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine

(3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine (PubChem CID 89355297) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is (3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine
PubChem CID89355297
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine
SMILESC=C(NCCN1CCOCC1)/C(=C\C=C(C)C)C(C)(C)C
InChIInChI=1S/C18H32N2O/c1-15(2)7-8-17(18(4,5)6)16(3)19-9-10-20-11-13-21-14-12-20/h7-8,19H,3,9-14H2,1-2,4-6H3/b17-8+
InChIKeyJWIANBLVWPUCPZ-CAOOACKPSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine (CID 89355297) is (3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine is C=C(NCCN1CCOCC1)/C(=C\C=C(C)C)C(C)(C)C.
What is the InChIKey of (3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine?
The InChIKey is JWIANBLVWPUCPZ-CAOOACKPSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)7-8-17(18(4,5)6)16(3)19-9-10-20-11-13-21-14-12-20/h7-8,19H,3,9-14H2,1-2,4-6H3/b17-8+.
What are the key properties of (3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine?
(3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 89355297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).