(2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide

C15H24N4 — CID 177354927

IUPAC(2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide
SMILES[H]/N=C(N)/C=C\C(N)=C(\C=CNC)C(=C)/C=C(\C)CC
InChIInChI=1S/C15H24N4/c1-5-11(2)10-12(3)13(8-9-19-4)14(16)6-7-15(17)18/h6-10,19H,3,5,16H2,1-2,4H3,(H3,17,18)/b7-6-,9-8?,11-10+,14-13+
InChIKeyDROLAKPXUBJLCX-RHWKGHBCSA-N
MW260.38 g/mol
LogP2.34
Rot. Bonds7

About (2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide

(2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide (PubChem CID 177354927) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide.

Molecular Properties

Compound Name(2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide
PubChem CID177354927
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name(2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide
SMILES[H]/N=C(N)/C=C\C(N)=C(\C=CNC)C(=C)/C=C(\C)CC
InChIInChI=1S/C15H24N4/c1-5-11(2)10-12(3)13(8-9-19-4)14(16)6-7-15(17)18/h6-10,19H,3,5,16H2,1-2,4H3,(H3,17,18)/b7-6-,9-8?,11-10+,14-13+
InChIKeyDROLAKPXUBJLCX-RHWKGHBCSA-N
XLogP2.34
TPSA87.92 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide
CID 163864124
N-[(1Z,3Z)-3-(1-amino-1-fluoroethyl)hepta-1,3-dienyl]-N'-methylethanimidamide
CID 177357033
(4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine
CID 129169872
(Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide
CID 134502442
(E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine
CID 134567574
(Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide
CID 137282310
(Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide
CID 137301510
(Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide
CID 137387818
N'-[(E,3Z)-1-amino-3-(6-aminocyclohexa-2,4-dien-1-ylidene)but-1-en-2-yl]-2-(methylamino)ethanimidamide
CID 138461714
2-methyl-5-[(3E)-4-[methyl(methylamino)amino]penta-1,3-dien-3-yl]-1H-diazepin-3-imine
CID 139453771
ethane;(Z)-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]prop-2-enimidamide
CID 143923794
ethane;(1E,3Z)-N-methyl-2-(2-methyl-1,4-dihydropyrimidin-4-yl)penta-1,3-dien-1-amine
CID 144183959

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide?
The IUPAC name of (2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide (CID 177354927) is (2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide.
What is the SMILES notation for (2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide?
The canonical SMILES for (2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide is [H]/N=C(N)/C=C\C(N)=C(\C=CNC)C(=C)/C=C(\C)CC.
What is the InChIKey of (2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide?
The InChIKey is DROLAKPXUBJLCX-RHWKGHBCSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-11(2)10-12(3)13(8-9-19-4)14(16)6-7-15(17)18/h6-10,19H,3,5,16H2,1-2,4H3,(H3,17,18)/b7-6-,9-8?,11-10+,14-13+.
What are the key properties of (2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide?
(2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide has a molecular weight of 260.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide is sourced from PubChem (CID 177354927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).