N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine

C22H33N3 — CID 169384956

IUPACN-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1cccc(CNNc2ccccc2)c1
InChIInChI=1S/C22H33N3/c1-3-5-15-25(16-6-4-2)19-21-12-10-11-20(17-21)18-23-24-22-13-8-7-9-14-22/h7-14,17,23-24H,3-6,15-16,18-19H2,1-2H3
InChIKeyMWFZZAHJIZGIBJ-UHFFFAOYSA-N
MW339.53 g/mol
LogP5.21
Rot. Bonds12

About N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine

N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine (PubChem CID 169384956) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine
PubChem CID169384956
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC NameN-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1cccc(CNNc2ccccc2)c1
InChIInChI=1S/C22H33N3/c1-3-5-15-25(16-6-4-2)19-21-12-10-11-20(17-21)18-23-24-22-13-8-7-9-14-22/h7-14,17,23-24H,3-6,15-16,18-19H2,1-2H3
InChIKeyMWFZZAHJIZGIBJ-UHFFFAOYSA-N
XLogP5.21
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.53
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine (CID 169384956) is N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine is CCCCN(CCCC)Cc1cccc(CNNc2ccccc2)c1.
What is the InChIKey of N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine?
The InChIKey is MWFZZAHJIZGIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3/c1-3-5-15-25(16-6-4-2)19-21-12-10-11-20(17-21)18-23-24-22-13-8-7-9-14-22/h7-14,17,23-24H,3-6,15-16,18-19H2,1-2H3.
What are the key properties of N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine?
N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine has a molecular weight of 339.53 g/mol, XLogP of 5.21, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine is sourced from PubChem (CID 169384956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).