(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine

C27H41N3 — CID 143341979

IUPAC(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine
SMILESC=CC(C=CC/C=C(\CC)CCC)CNC(=C)C1=NC(=C(C)C)N(C)C(C(=C)C)=C1
InChIInChI=1S/C27H41N3/c1-10-15-23(11-2)16-13-14-17-24(12-3)19-28-22(8)25-18-26(20(4)5)30(9)27(29-25)21(6)7/h12,14,16-18,24,28H,3-4,8,10-11,13,15,19H2,1-2,5-7,9H3/b17-14?,23-16+
InChIKeyYFQGLCWLBHFPDC-FDAZBKMASA-N
MW407.65 g/mol
LogP7.07
Rot. Bonds12

About (6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine

(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine (PubChem CID 143341979) has the molecular formula C27H41N3 and a molecular weight of 407.65 g/mol. Its IUPAC name is (6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine.

Molecular Properties

Compound Name(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine
PubChem CID143341979
Molecular FormulaC27H41N3
Molecular Weight407.65 g/mol
Exact Mass407.33
IUPAC Name(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine
SMILESC=CC(C=CC/C=C(\CC)CCC)CNC(=C)C1=NC(=C(C)C)N(C)C(C(=C)C)=C1
InChIInChI=1S/C27H41N3/c1-10-15-23(11-2)16-13-14-17-24(12-3)19-28-22(8)25-18-26(20(4)5)30(9)27(29-25)21(6)7/h12,14,16-18,24,28H,3-4,8,10-11,13,15,19H2,1-2,5-7,9H3/b17-14?,23-16+
InChIKeyYFQGLCWLBHFPDC-FDAZBKMASA-N
XLogP7.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.65
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine with MolForge

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Related Compounds

[4-Ethyl-5-methylimino-11-(prop-2-enylamino)trideca-3,7,10,12-tetraen-3-yl]-methyl-methylideneazanium
CID 91589718
(3Z,5E,9E)-8-[(Z)-4-(butan-2-ylamino)but-2-en-2-yl]imino-N-ethyl-6-methylundeca-1,3,5,9-tetraen-2-amine
CID 132185571
N,N'-dimethyl-N'-pentylethane-1,2-diamine;ethane;(3E,5Z)-N-[1-[(Z)-4-methylpent-3-en-2-ylideneamino]ethenyl]octa-3,5-dien-4-amine
CID 142562233
ethene;(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine
CID 143341978
3-methylidene-1-N-[[6-[[1-[(2E)-1-methyl-7-prop-1-en-2-yl-2-prop-2-enylidene-5H-1,3-diazepin-4-yl]ethenylamino]methyl]cyclohepta-1,3,6-trien-1-yl]methyl]cyclobutene-1,2-diamine
CID 143342498
6-[[[(4E)-5,6-dimethyl-3-[(E)-4-methyliminobut-2-en-2-yl]iminohepta-1,4,6-trien-2-yl]amino]methyl]-2-propylcyclohepta-1,4,6-trien-1-amine
CID 143342506
acetylene;N-[(4,5-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1-[(2E)-2-ethylidene-1-methyl-6-prop-1-en-2-ylpyrimidin-4-yl]ethenamine;ethane
CID 143343143
acetylene;2-N-[(2E)-2-[(E)-3-[1-[1-[(Z)-but-2-en-2-yl]-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl]ethenylamino]-2-methylprop-1-enyl]penta-2,4-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine
CID 143344310
(Z,6E)-6-but-3-en-2-ylidene-N-[1-[(2E)-1-ethyl-2-(methylaminomethylidene)-6-prop-1-en-2-ylpyrimidin-4-yl]ethenyl]-9,9-dimethyl-7-methylidenedec-4-en-2-amine;methanamine;propane
CID 143344958
(6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine;prop-1-en-2-amine
CID 143345421
(Z)-4-methylidene-2-[7-[[1-[(2E)-1-methyl-6-prop-1-en-2-yl-2-prop-2-enylidenepyrimidin-4-yl]ethenylamino]methyl]-1,3,4,9-tetrahydrocyclohepta[c]pyridin-2-yl]hex-2-en-3-amine
CID 143346983
N-[(E,4Z)-4-(1-aminoethenylimino)pent-2-en-2-yl]-2,3-dimethyl-N-propylbutan-1-amine;(6E)-6-[(Z)-but-2-enylidene]-1-ethyl-5-methylidenecyclohexa-1,3-diene;prop-1-ene
CID 143604891

Frequently Asked Questions

What is the IUPAC name of (6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine?
The IUPAC name of (6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine (CID 143341979) is (6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine.
What is the SMILES notation for (6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine?
The canonical SMILES for (6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine is C=CC(C=CC/C=C(\CC)CCC)CNC(=C)C1=NC(=C(C)C)N(C)C(C(=C)C)=C1.
What is the InChIKey of (6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine?
The InChIKey is YFQGLCWLBHFPDC-FDAZBKMASA-N. The full InChI is InChI=1S/C27H41N3/c1-10-15-23(11-2)16-13-14-17-24(12-3)19-28-22(8)25-18-26(20(4)5)30(9)27(29-25)21(6)7/h12,14,16-18,24,28H,3-4,8,10-11,13,15,19H2,1-2,5-7,9H3/b17-14?,23-16+.
What are the key properties of (6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine?
(6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine has a molecular weight of 407.65 g/mol, XLogP of 7.07, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-ethenyl-7-ethyl-N-[1-(1-methyl-2-propan-2-ylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-1-amine is sourced from PubChem (CID 143341979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).