1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine

C16H21N3 — CID 55017455

IUPAC1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESCC(N)C(c1ccccc1)N(C)Cc1cccnc1
InChIInChI=1S/C16H21N3/c1-13(17)16(15-8-4-3-5-9-15)19(2)12-14-7-6-10-18-11-14/h3-11,13,16H,12,17H2,1-2H3
InChIKeySTCMBTITYFWQSG-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.60
Rot. Bonds5

About 1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine

1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine (PubChem CID 55017455) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
PubChem CID55017455
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESCC(N)C(c1ccccc1)N(C)Cc1cccnc1
InChIInChI=1S/C16H21N3/c1-13(17)16(15-8-4-3-5-9-15)19(2)12-14-7-6-10-18-11-14/h3-11,13,16H,12,17H2,1-2H3
InChIKeySTCMBTITYFWQSG-UHFFFAOYSA-N
XLogP2.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 43563291
2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563493
2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 95121332
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 81059160
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
CID 112657794
1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 62432857
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
CID 65483700
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250
2-[methyl(pyridin-3-ylmethyl)amino]propanehydrazide
CID 63571441
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine (CID 55017455) is 1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine is CC(N)C(c1ccccc1)N(C)Cc1cccnc1.
What is the InChIKey of 1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The InChIKey is STCMBTITYFWQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(17)16(15-8-4-3-5-9-15)19(2)12-14-7-6-10-18-11-14/h3-11,13,16H,12,17H2,1-2H3.
What are the key properties of 1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 55017455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).