6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine

C18H25N3 — CID 80793098

IUPAC6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H25N3/c1-4-12-19-17-6-5-7-18(21-17)20-13-15-8-10-16(11-9-15)14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H2,19,20,21)
InChIKeyYWZCRVWZQSHKSX-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.64
Rot. Bonds7

About 6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine

6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 80793098) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
PubChem CID80793098
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H25N3/c1-4-12-19-17-6-5-7-18(21-17)20-13-15-8-10-16(11-9-15)14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H2,19,20,21)
InChIKeyYWZCRVWZQSHKSX-UHFFFAOYSA-N
XLogP4.64
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
4-[[[6-(propylamino)-2-pyridinyl]amino]methyl]benzonitrile
CID 80821765
6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79233414
2-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 62342670
6-N-(2-phenylpropyl)-2-N-propylpyridine-2,6-diamine
CID 104592500
6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80816894
6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802405
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80785034
6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106015208
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine (CID 80793098) is 6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NCc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is YWZCRVWZQSHKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-12-19-17-6-5-7-18(21-17)20-13-15-8-10-16(11-9-15)14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H2,19,20,21).
What are the key properties of 6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine?
6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 283.42 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80793098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).