(5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine

C21H35N3 — CID 155275332

IUPAC(5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine
SMILESC=c1nc(N)c(CCCCC)c/c1=C/C=C(\C)CCCCCCN
InChIInChI=1S/C21H35N3/c1-4-5-8-12-20-16-19(18(3)24-21(20)23)14-13-17(2)11-9-6-7-10-15-22/h13-14,16H,3-12,15,22H2,1-2H3,(H2,23,24)/b17-13+,19-14-
InChIKeyWWZAQVMNPISCDB-KGLWARJVSA-N
MW329.53 g/mol
LogP3.44
Rot. Bonds11

About (5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine

(5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine (PubChem CID 155275332) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is (5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine.

Molecular Properties

Compound Name(5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine
PubChem CID155275332
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name(5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine
SMILESC=c1nc(N)c(CCCCC)c/c1=C/C=C(\C)CCCCCCN
InChIInChI=1S/C21H35N3/c1-4-5-8-12-20-16-19(18(3)24-21(20)23)14-13-17(2)11-9-6-7-10-15-22/h13-14,16H,3-12,15,22H2,1-2H3,(H2,23,24)/b17-13+,19-14-
InChIKeyWWZAQVMNPISCDB-KGLWARJVSA-N
XLogP3.44
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine?
The IUPAC name of (5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine (CID 155275332) is (5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine.
What is the SMILES notation for (5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine?
The canonical SMILES for (5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine is C=c1nc(N)c(CCCCC)c/c1=C/C=C(\C)CCCCCCN.
What is the InChIKey of (5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine?
The InChIKey is WWZAQVMNPISCDB-KGLWARJVSA-N. The full InChI is InChI=1S/C21H35N3/c1-4-5-8-12-20-16-19(18(3)24-21(20)23)14-13-17(2)11-9-6-7-10-15-22/h13-14,16H,3-12,15,22H2,1-2H3,(H2,23,24)/b17-13+,19-14-.
What are the key properties of (5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine?
(5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine has a molecular weight of 329.53 g/mol, XLogP of 3.44, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-9-amino-3-methylnon-2-enylidene]-6-methylidene-3-pentylpyridin-2-amine is sourced from PubChem (CID 155275332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).