N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline

C17H23N3 — CID 1075944

IUPACN,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
SMILESCCN(CC)c1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C17H23N3/c1-3-20(4-2)17-9-7-15(8-10-17)12-19-14-16-6-5-11-18-13-16/h5-11,13,19H,3-4,12,14H2,1-2H3
InChIKeyULNFGTGKYQAVCF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.22
Rot. Bonds7

About N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline

N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline (PubChem CID 1075944) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
PubChem CID1075944
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
SMILESCCN(CC)c1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C17H23N3/c1-3-20(4-2)17-9-7-15(8-10-17)12-19-14-16-6-5-11-18-13-16/h5-11,13,19H,3-4,12,14H2,1-2H3
InChIKeyULNFGTGKYQAVCF-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-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828
N'-butyl-N'-phenyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 64584475
2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919519
N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62555848
N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 4717881
6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121189
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline?
The IUPAC name of N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline (CID 1075944) is N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline is CCN(CC)c1ccc(CNCc2cccnc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline?
The InChIKey is ULNFGTGKYQAVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-20(4-2)17-9-7-15(8-10-17)12-19-14-16-6-5-11-18-13-16/h5-11,13,19H,3-4,12,14H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline?
N,N-diethyl-4-[(pyridin-3-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-3-ylmethylamino)methyl]aniline is sourced from PubChem (CID 1075944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).