N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine

C18H25N3 — CID 62434151

IUPACN-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN(C)Cc1cccnc1
InChIInChI=1S/C18H25N3/c1-3-10-19-13-17-8-4-5-9-18(17)15-21(2)14-16-7-6-11-20-12-16/h4-9,11-12,19H,3,10,13-15H2,1-2H3
InChIKeyFIXUQSAQSOYUSK-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.21
Rot. Bonds8

About N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine

N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine (PubChem CID 62434151) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
PubChem CID62434151
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN(C)Cc1cccnc1
InChIInChI=1S/C18H25N3/c1-3-10-19-13-17-8-4-5-9-18(17)15-21(2)14-16-7-6-11-20-12-16/h4-9,11-12,19H,3,10,13-15H2,1-2H3
InChIKeyFIXUQSAQSOYUSK-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62432328
N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432557
N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 62470634
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558301
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563618
3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563633
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine (CID 62434151) is N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1CN(C)Cc1cccnc1.
What is the InChIKey of N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine?
The InChIKey is FIXUQSAQSOYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-10-19-13-17-8-4-5-9-18(17)15-21(2)14-16-7-6-11-20-12-16/h4-9,11-12,19H,3,10,13-15H2,1-2H3.
What are the key properties of N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine?
N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62434151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).