(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine

C18H32N2O — CID 118146494

IUPAC(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine
SMILESC=C/C=C(C)/C(NC(C)CN1CCOCC1)=C(\C)CCC
InChIInChI=1S/C18H32N2O/c1-6-8-15(3)18(16(4)9-7-2)19-17(5)14-20-10-12-21-13-11-20/h6,8,17,19H,1,7,9-14H2,2-5H3/b15-8+,18-16-
InChIKeyLPXBSHQCYZMGRS-FJANHMTKSA-N
MW292.47 g/mol
LogP3.50
Rot. Bonds8

About (3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine

(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine (PubChem CID 118146494) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is (3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine.

Molecular Properties

Compound Name(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine
PubChem CID118146494
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine
SMILESC=C/C=C(C)/C(NC(C)CN1CCOCC1)=C(\C)CCC
InChIInChI=1S/C18H32N2O/c1-6-8-15(3)18(16(4)9-7-2)19-17(5)14-20-10-12-21-13-11-20/h6,8,17,19H,1,7,9-14H2,2-5H3/b15-8+,18-16-
InChIKeyLPXBSHQCYZMGRS-FJANHMTKSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine?
The IUPAC name of (3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine (CID 118146494) is (3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine.
What is the SMILES notation for (3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine?
The canonical SMILES for (3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine is C=C/C=C(C)/C(NC(C)CN1CCOCC1)=C(\C)CCC.
What is the InChIKey of (3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine?
The InChIKey is LPXBSHQCYZMGRS-FJANHMTKSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-8-15(3)18(16(4)9-7-2)19-17(5)14-20-10-12-21-13-11-20/h6,8,17,19H,1,7,9-14H2,2-5H3/b15-8+,18-16-.
What are the key properties of (3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine?
(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine has a molecular weight of 292.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine is sourced from PubChem (CID 118146494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).