2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine

C15H19N3 — CID 121381105

IUPAC2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine
SMILESC=C1/C=C\C=C/CCC(Nc2ccc(N)cn2)C1
InChIInChI=1S/C15H19N3/c1-12-6-4-2-3-5-7-14(10-12)18-15-9-8-13(16)11-17-15/h2-4,6,8-9,11,14H,1,5,7,10,16H2,(H,17,18)/b3-2-,6-4-
InChIKeyZPANURMFFUINOT-BXAWZMCCSA-N
MW241.34 g/mol
LogP3.30
Rot. Bonds2

About 2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine

2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine (PubChem CID 121381105) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine
PubChem CID121381105
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine
SMILESC=C1/C=C\C=C/CCC(Nc2ccc(N)cn2)C1
InChIInChI=1S/C15H19N3/c1-12-6-4-2-3-5-7-14(10-12)18-15-9-8-13(16)11-17-15/h2-4,6,8-9,11,14H,1,5,7,10,16H2,(H,17,18)/b3-2-,6-4-
InChIKeyZPANURMFFUINOT-BXAWZMCCSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine (CID 121381105) is 2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine is C=C1/C=C\C=C/CCC(Nc2ccc(N)cn2)C1.
What is the InChIKey of 2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine?
The InChIKey is ZPANURMFFUINOT-BXAWZMCCSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-6-4-2-3-5-7-14(10-12)18-15-9-8-13(16)11-17-15/h2-4,6,8-9,11,14H,1,5,7,10,16H2,(H,17,18)/b3-2-,6-4-.
What are the key properties of 2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine?
2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine is sourced from PubChem (CID 121381105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).