N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine

C20H29N3 — CID 169384974

IUPACN-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(CNNc2ccccc2)cc1
InChIInChI=1S/C20H29N3/c1-3-14-23(15-4-2)17-19-12-10-18(11-13-19)16-21-22-20-8-6-5-7-9-20/h5-13,21-22H,3-4,14-17H2,1-2H3
InChIKeyBAXYXJPSYHSQML-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.43
Rot. Bonds10

About N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine

N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine (PubChem CID 169384974) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine
PubChem CID169384974
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC NameN-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(CNNc2ccccc2)cc1
InChIInChI=1S/C20H29N3/c1-3-14-23(15-4-2)17-19-12-10-18(11-13-19)16-21-22-20-8-6-5-7-9-20/h5-13,21-22H,3-4,14-17H2,1-2H3
InChIKeyBAXYXJPSYHSQML-UHFFFAOYSA-N
XLogP4.43
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.43
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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Related Compounds

N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine
CID 169384956
N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine
CID 90274197
N,N-dibenzylpropan-1-amine
CID 10840212
N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline
CID 169385725
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 55070316
N-benzyl-N-propylhexan-1-amine
CID 123983090
N-benzyl-N-(methoxymethyl)propan-1-amine
CID 90983787
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide
CID 166633000
N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine
CID 58570196

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine (CID 169384974) is N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1ccc(CNNc2ccccc2)cc1.
What is the InChIKey of N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine?
The InChIKey is BAXYXJPSYHSQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-3-14-23(15-4-2)17-19-12-10-18(11-13-19)16-21-22-20-8-6-5-7-9-20/h5-13,21-22H,3-4,14-17H2,1-2H3.
What are the key properties of N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine?
N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 169384974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).