N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine

C15H19N3 — CID 60889324

IUPACN'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
SMILESNCCCNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C15H19N3/c16-10-6-12-18-15(13-7-2-1-3-8-13)14-9-4-5-11-17-14/h1-5,7-9,11,15,18H,6,10,12,16H2
InChIKeyZKLNYNFLOKDNJJ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.11
Rot. Bonds6

About N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine

N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine (PubChem CID 60889324) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
PubChem CID60889324
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
SMILESNCCCNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C15H19N3/c16-10-6-12-18-15(13-7-2-1-3-8-13)14-9-4-5-11-17-14/h1-5,7-9,11,15,18H,6,10,12,16H2
InChIKeyZKLNYNFLOKDNJJ-UHFFFAOYSA-N
XLogP2.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.11
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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Related Compounds

4,4,4-trifluoro-N-[phenyl(pyridin-2-yl)methyl]butan-1-amine
CID 115516236
5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine
CID 104926413
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036
3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine
CID 55625647
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817
2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 86791432
2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 61039844
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine
CID 91082379
2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
CID 34156353
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440

Frequently Asked Questions

What is the IUPAC name of N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine (CID 60889324) is N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine is NCCCNC(c1ccccc1)c1ccccn1.
What is the InChIKey of N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is ZKLNYNFLOKDNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-10-6-12-18-15(13-7-2-1-3-8-13)14-9-4-5-11-17-14/h1-5,7-9,11,15,18H,6,10,12,16H2.
What are the key properties of N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine?
N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 60889324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).