(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

C28H42N4 — CID 143345421

IUPAC(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
SMILESC=C(C)N.C=CC(=CC/C=C(\C)C(=C)CC)C(C)NC(=C)C1=NC(=C)N(C)C(C(=C)C)=C1
InChIInChI=1S/C25H35N3.C3H7N/c1-11-18(5)19(6)14-13-15-23(12-2)20(7)26-21(8)24-16-25(17(3)4)28(10)22(9)27-24;1-3(2)4/h12,14-16,20,26H,2-3,5,8-9,11,13H2,1,4,6-7,10H3;1,4H2,2H3/b19-14+,23-15?;
InChIKeyAUYVLQNSOFDOIS-IDFGPLNVSA-N
MW434.67 g/mol
LogP6.69
Rot. Bonds10

About (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

(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 (PubChem CID 143345421) has the molecular formula C28H42N4 and a molecular weight of 434.67 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID143345421
Molecular FormulaC28H42N4
Molecular Weight434.67 g/mol
Exact Mass434.34
IUPAC Name(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
SMILESC=C(C)N.C=CC(=CC/C=C(\C)C(=C)CC)C(C)NC(=C)C1=NC(=C)N(C)C(C(=C)C)=C1
InChIInChI=1S/C25H35N3.C3H7N/c1-11-18(5)19(6)14-13-15-23(12-2)20(7)26-21(8)24-16-25(17(3)4)28(10)22(9)27-24;1-3(2)4/h12,14-16,20,26H,2-3,5,8-9,11,13H2,1,4,6-7,10H3;1,4H2,2H3/b19-14+,23-15?;
InChIKeyAUYVLQNSOFDOIS-IDFGPLNVSA-N
XLogP6.69
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.67
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[3-[(2E,4Z,6Z)-1-(dipropylamino)-3-methylocta-2,4,6-trien-2-yl]iminobut-1-en-2-yl]-N',N'-difluoromethanediamine
CID 143722045
[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
(1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine
CID 134525423
(3Z,5Z,7E,9Z)-5-[4-[(tert-butylamino)methyl]-2-methyl-2H-pyridin-1-yl]-7-ethenyl-10-methyl-4-(propan-2-ylideneamino)dodeca-1,3,5,7,9-pentaen-6-amine;ethane
CID 142198854
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;(3E,5E)-3,6-dimethyl-7-methylidene-N-[5-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]iminohexa-1,4-dien-2-yl]nona-3,5-dien-2-amine;prop-1-ene
CID 143342743
N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine
CID 143342947
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(C)N.C=CC(=CC/C=C(\C)C(=C)CC)C(C)NC(=C)C1=NC(=C)N(C)C(C(=C)C)=C1.
What is the InChIKey of (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?
The InChIKey is AUYVLQNSOFDOIS-IDFGPLNVSA-N. The full InChI is InChI=1S/C25H35N3.C3H7N/c1-11-18(5)19(6)14-13-15-23(12-2)20(7)26-21(8)24-16-25(17(3)4)28(10)22(9)27-24;1-3(2)4/h12,14-16,20,26H,2-3,5,8-9,11,13H2,1,4,6-7,10H3;1,4H2,2H3/b19-14+,23-15?;.
What are the key properties of (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?
(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 has a molecular weight of 434.67 g/mol, XLogP of 6.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 143345421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).