(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol

C19H31N5O — CID 142879982

IUPAC(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol
SMILES[H]/N=C(\C=C)c1nccn1C/C(N)=C(/C=C(\N)CCC(C)(C)O)CCC
InChIInChI=1S/C19H31N5O/c1-5-7-14(12-15(20)8-9-19(3,4)25)17(22)13-24-11-10-23-18(24)16(21)6-2/h6,10-12,21,25H,2,5,7-9,13,20,22H2,1,3-4H3/b15-12-,17-14-,21-16+
InChIKeySASKYKWGFBFQJB-GLPCSJQQSA-N
MW345.49 g/mol
LogP2.84
Rot. Bonds10

About (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol

(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol (PubChem CID 142879982) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol.

Molecular Properties

Compound Name(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol
PubChem CID142879982
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol
SMILES[H]/N=C(\C=C)c1nccn1C/C(N)=C(/C=C(\N)CCC(C)(C)O)CCC
InChIInChI=1S/C19H31N5O/c1-5-7-14(12-15(20)8-9-19(3,4)25)17(22)13-24-11-10-23-18(24)16(21)6-2/h6,10-12,21,25H,2,5,7-9,13,20,22H2,1,3-4H3/b15-12-,17-14-,21-16+
InChIKeySASKYKWGFBFQJB-GLPCSJQQSA-N
XLogP2.84
TPSA113.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 117763573
(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene
CID 142879981
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(Z)-1-cyclohepta-1,4,6-trien-1-yl-2-[6-[[2-(3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]ethenamine
CID 142996695
(4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine
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3,7-Dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol
CID 102307375
1-(1-Butyl-3-methylimidazol-3-ium-2-yl)-3,7-dimethyloct-6-en-3-ol
CID 102307378
(9Z)-8-cyclohepta-1,6-dien-1-yl-9-(3,7-dimethyl-1,2-dihydroazepin-5-ylidene)-N-ethyl-5H-imidazo[1,2-d][1,4]diazepin-6-imine
CID 153338420

Frequently Asked Questions

What is the IUPAC name of (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol?
The IUPAC name of (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol (CID 142879982) is (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol.
What is the SMILES notation for (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol?
The canonical SMILES for (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol is [H]/N=C(\C=C)c1nccn1C/C(N)=C(/C=C(\N)CCC(C)(C)O)CCC.
What is the InChIKey of (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol?
The InChIKey is SASKYKWGFBFQJB-GLPCSJQQSA-N. The full InChI is InChI=1S/C19H31N5O/c1-5-7-14(12-15(20)8-9-19(3,4)25)17(22)13-24-11-10-23-18(24)16(21)6-2/h6,10-12,21,25H,2,5,7-9,13,20,22H2,1,3-4H3/b15-12-,17-14-,21-16+.
What are the key properties of (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol?
(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol has a molecular weight of 345.49 g/mol, XLogP of 2.84, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol is sourced from PubChem (CID 142879982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).