5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine

C16H21N3 — CID 104531987

IUPAC5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H21N3/c1-3-9-18-15-10-16(12-17-11-15)19(2)13-14-7-5-4-6-8-14/h4-8,10-12,18H,3,9,13H2,1-2H3
InChIKeyZGMKIEFYUNIBAD-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.54
Rot. Bonds6

About 5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine

5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine (PubChem CID 104531987) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine
PubChem CID104531987
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H21N3/c1-3-9-18-15-10-16(12-17-11-15)19(2)13-14-7-5-4-6-8-14/h4-8,10-12,18H,3,9,13H2,1-2H3
InChIKeyZGMKIEFYUNIBAD-UHFFFAOYSA-N
XLogP3.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-methyl-3-N-propyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533005
5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533243
5-N-[(2-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533240
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533339
2-[methyl-[5-(propylamino)-3-pyridinyl]amino]ethanol
CID 104532770
5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine
CID 104534905
5-N-methyl-3-N-propyl-5-N-(3,3,3-trifluoropropyl)pyridine-3,5-diamine
CID 104535065
5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534718
N,N-dimethyl-2-[methyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104532890
5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine
CID 113424154
3-N,5-N,5-N-tripropylpyridine-3,5-diamine
CID 104532474
5-(3-phenylpropoxy)-N-propylpyridin-3-amine
CID 104536691

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine (CID 104531987) is 5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(N(C)Cc2ccccc2)c1.
What is the InChIKey of 5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine?
The InChIKey is ZGMKIEFYUNIBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-9-18-15-10-16(12-17-11-15)19(2)13-14-7-5-4-6-8-14/h4-8,10-12,18H,3,9,13H2,1-2H3.
What are the key properties of 5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine?
5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104531987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).