N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline

C17H23N3 — CID 834543

IUPACN,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
SMILESCCN(CC)c1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C17H23N3/c1-3-20(4-2)17-10-8-15(9-11-17)13-18-14-16-7-5-6-12-19-16/h5-12,18H,3-4,13-14H2,1-2H3
InChIKeyPCAUFANHGBQDDJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.22
Rot. Bonds7

About N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline

N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline (PubChem CID 834543) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
PubChem CID834543
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
SMILESCCN(CC)c1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C17H23N3/c1-3-20(4-2)17-10-8-15(9-11-17)13-18-14-16-7-5-6-12-19-16/h5-12,18H,3-4,13-14H2,1-2H3
InChIKeyPCAUFANHGBQDDJ-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline
CID 60960957
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
CID 158212763
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944
2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol
CID 115603020
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline
CID 78894850
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline?
The IUPAC name of N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline (CID 834543) is N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline is CCN(CC)c1ccc(CNCc2ccccn2)cc1.
What is the InChIKey of N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline?
The InChIKey is PCAUFANHGBQDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-20(4-2)17-10-8-15(9-11-17)13-18-14-16-7-5-6-12-19-16/h5-12,18H,3-4,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline?
N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline is sourced from PubChem (CID 834543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).