N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine

C16H19N3O — CID 110505669

IUPACN-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCCCCOc1cccc(/C=N/Nc2ccccn2)c1
InChIInChI=1S/C16H19N3O/c1-2-3-11-20-15-8-6-7-14(12-15)13-18-19-16-9-4-5-10-17-16/h4-10,12-13H,2-3,11H2,1H3,(H,17,19)/b18-13+
InChIKeyJBEBIQMILZVHQU-QGOAFFKASA-N
MW269.35 g/mol
LogP3.71
Rot. Bonds7

About N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine

N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 110505669) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID110505669
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCCCCOc1cccc(/C=N/Nc2ccccn2)c1
InChIInChI=1S/C16H19N3O/c1-2-3-11-20-15-8-6-7-14(12-15)13-18-19-16-9-4-5-10-17-16/h4-10,12-13H,2-3,11H2,1H3,(H,17,19)/b18-13+
InChIKeyJBEBIQMILZVHQU-QGOAFFKASA-N
XLogP3.71
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505596
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
CID 110842530
3-N,5-N-bis[(3-butoxyphenyl)methylideneamino]-6-methyl-1,2,4-triazine-3,5-diamine
CID 71967010
3-N,5-N-bis[(E)-(3-butoxyphenyl)methylideneamino]-6-methyl-1,2,4-triazine-3,5-diamine
CID 18593774
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-nitroaniline
CID 110506439
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine
CID 84932002
2-[(2E)-2-[(3-butoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733657
2-[(2Z)-2-[(3-butoxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136787903
N-[(Z)-(3-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533642
N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine
CID 110505657
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine (CID 110505669) is N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine is CCCCOc1cccc(/C=N/Nc2ccccn2)c1.
What is the InChIKey of N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is JBEBIQMILZVHQU-QGOAFFKASA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-3-11-20-15-8-6-7-14(12-15)13-18-19-16-9-4-5-10-17-16/h4-10,12-13H,2-3,11H2,1H3,(H,17,19)/b18-13+.
What are the key properties of N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine?
N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 110505669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).