(2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene

C28H45N3O — CID 143721917

IUPAC(2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene
SMILESC=C(/C=C\C=C/C)CC.C=C(C)/C(C)=N/C(CN1CCOCC1)=C(C)/C(=C\C=C/C)NC
InChIInChI=1S/C19H31N3O.C9H14/c1-7-8-9-18(20-6)16(4)19(21-17(5)15(2)3)14-22-10-12-23-13-11-22;1-4-6-7-8-9(3)5-2/h7-9,20H,2,10-14H2,1,3-6H3;4,6-8H,3,5H2,1-2H3/b8-7-,18-9+,19-16+,21-17+;6-4-,8-7-
InChIKeyPBMVLYDAXOGRGW-MAVBBGMHSA-N
MW439.69 g/mol
LogP6.39
Rot. Bonds10

About (2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene

(2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene (PubChem CID 143721917) has the molecular formula C28H45N3O and a molecular weight of 439.69 g/mol. Its IUPAC name is (2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene.

Molecular Properties

Compound Name(2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene
PubChem CID143721917
Molecular FormulaC28H45N3O
Molecular Weight439.69 g/mol
Exact Mass439.36
IUPAC Name(2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene
SMILESC=C(/C=C\C=C/C)CC.C=C(C)/C(C)=N/C(CN1CCOCC1)=C(C)/C(=C\C=C/C)NC
InChIInChI=1S/C19H31N3O.C9H14/c1-7-8-9-18(20-6)16(4)19(21-17(5)15(2)3)14-22-10-12-23-13-11-22;1-4-6-7-8-9(3)5-2/h7-9,20H,2,10-14H2,1,3-6H3;4,6-8H,3,5H2,1-2H3/b8-7-,18-9+,19-16+,21-17+;6-4-,8-7-
InChIKeyPBMVLYDAXOGRGW-MAVBBGMHSA-N
XLogP6.39
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.69
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene with MolForge

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Launch Full Analysis

Related Compounds

N-[(2E,4E,6Z)-4-fluoro-3-methyl-1-morpholin-4-ylocta-2,4,6-trien-2-yl]-3-methylbut-3-en-2-imine
CID 143722077
(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine
CID 118146494
(4Z,6E,7Z)-N-[(E)-but-1-enyl]-6-ethylidene-3-imino-5-(methylideneamino)-9-morpholin-4-yldeca-4,7,9-trien-1-amine
CID 132038830
(3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine
CID 143378565
(3E,5E,6Z)-5-ethylidene-2-methanimidoyl-3-N-(2-morpholin-4-ylethyl)nona-1,3,6-triene-3,6-diamine
CID 145062250
(2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine
CID 143721918
N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine
CID 153345655
(2E,3Z,5E)-2-[(Z)-3-[but-3-enyl(propyl)amino]-1-morpholin-4-ylbut-1-enyl]imino-5-[(Z)-prop-1-enyl]octa-3,5,7-trien-4-amine
CID 168921921

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene?
The IUPAC name of (2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene (CID 143721917) is (2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene.
What is the SMILES notation for (2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene?
The canonical SMILES for (2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene is C=C(/C=C\C=C/C)CC.C=C(C)/C(C)=N/C(CN1CCOCC1)=C(C)/C(=C\C=C/C)NC.
What is the InChIKey of (2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene?
The InChIKey is PBMVLYDAXOGRGW-MAVBBGMHSA-N. The full InChI is InChI=1S/C19H31N3O.C9H14/c1-7-8-9-18(20-6)16(4)19(21-17(5)15(2)3)14-22-10-12-23-13-11-22;1-4-6-7-8-9(3)5-2/h7-9,20H,2,10-14H2,1,3-6H3;4,6-8H,3,5H2,1-2H3/b8-7-,18-9+,19-16+,21-17+;6-4-,8-7-.
What are the key properties of (2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene?
(2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene has a molecular weight of 439.69 g/mol, XLogP of 6.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-N,3-dimethyl-2-(3-methylbut-3-en-2-ylideneamino)-1-morpholin-4-ylocta-2,4,6-trien-4-amine;(2Z,4Z)-6-methylideneocta-2,4-diene is sourced from PubChem (CID 143721917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).