(Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine

C17H32N2O2 — CID 134340463

IUPAC(Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine
SMILESC=CN(/C(=C(/C)CC)C(C)N1CCOCC1)C(C)(C)OC
InChIInChI=1S/C17H32N2O2/c1-8-14(3)16(19(9-2)17(5,6)20-7)15(4)18-10-12-21-13-11-18/h9,15H,2,8,10-13H2,1,3-7H3/b16-14-
InChIKeyIMRMTHOQFYHBIP-PEZBUJJGSA-N
MW296.46 g/mol
LogP3.22
Rot. Bonds7

About (Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine

(Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine (PubChem CID 134340463) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine
PubChem CID134340463
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name(Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine
SMILESC=CN(/C(=C(/C)CC)C(C)N1CCOCC1)C(C)(C)OC
InChIInChI=1S/C17H32N2O2/c1-8-14(3)16(19(9-2)17(5,6)20-7)15(4)18-10-12-21-13-11-18/h9,15H,2,8,10-13H2,1,3-7H3/b16-14-
InChIKeyIMRMTHOQFYHBIP-PEZBUJJGSA-N
XLogP3.22
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine?
The IUPAC name of (Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine (CID 134340463) is (Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine.
What is the SMILES notation for (Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine?
The canonical SMILES for (Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine is C=CN(/C(=C(/C)CC)C(C)N1CCOCC1)C(C)(C)OC.
What is the InChIKey of (Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine?
The InChIKey is IMRMTHOQFYHBIP-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-8-14(3)16(19(9-2)17(5,6)20-7)15(4)18-10-12-21-13-11-18/h9,15H,2,8,10-13H2,1,3-7H3/b16-14-.
What are the key properties of (Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine?
(Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine has a molecular weight of 296.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-N-(2-methoxypropan-2-yl)-4-methyl-2-morpholin-4-ylhex-3-en-3-amine is sourced from PubChem (CID 134340463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).