2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine

C16H21N3 — CID 79173631

IUPAC2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine
SMILESCc1cc(N(C)CCCc2ccccc2)ncc1N
InChIInChI=1S/C16H21N3/c1-13-11-16(18-12-15(13)17)19(2)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,17H2,1-2H3
InChIKeyNHQKYIIIPAOBDK-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.04
Rot. Bonds5

About 2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine

2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine (PubChem CID 79173631) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine
PubChem CID79173631
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine
SMILESCc1cc(N(C)CCCc2ccccc2)ncc1N
InChIInChI=1S/C16H21N3/c1-13-11-16(18-12-15(13)17)19(2)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,17H2,1-2H3
InChIKeyNHQKYIIIPAOBDK-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147511
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 55251700
4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
CID 81273880
3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106876609
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
N-methyl-N-(4-phenylbutyl)pyridin-2-amine
CID 102464733
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine
CID 62671815
3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine
CID 104506952
2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147437
2-N-(2-cyclohexylethyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 115147509

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine (CID 79173631) is 2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine is Cc1cc(N(C)CCCc2ccccc2)ncc1N.
What is the InChIKey of 2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine?
The InChIKey is NHQKYIIIPAOBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-11-16(18-12-15(13)17)19(2)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,17H2,1-2H3.
What are the key properties of 2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine?
2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 79173631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).