4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine

C17H23N3 — CID 43678643

IUPAC4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine
SMILESCC(CCc1ccccc1)Nc1cnccc1N(C)C
InChIInChI=1S/C17H23N3/c1-14(9-10-15-7-5-4-6-8-15)19-16-13-18-12-11-17(16)20(2)3/h4-8,11-14,19H,9-10H2,1-3H3
InChIKeyHGZXGMNDMLWKNO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.58
Rot. Bonds6

About 4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine

4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine (PubChem CID 43678643) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine
PubChem CID43678643
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine
SMILESCC(CCc1ccccc1)Nc1cnccc1N(C)C
InChIInChI=1S/C17H23N3/c1-14(9-10-15-7-5-4-6-8-15)19-16-13-18-12-11-17(16)20(2)3/h4-8,11-14,19H,9-10H2,1-3H3
InChIKeyHGZXGMNDMLWKNO-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine
CID 43678536
4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine
CID 116534255
3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 113494502
(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 78984805
N-(4-phenylbutan-2-yl)quinolin-8-amine
CID 43098678
2-[1-[[4-(dimethylamino)-3-pyridinyl]amino]propyl]phenol
CID 43678570
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795
3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678466
2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline
CID 63453526

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine (CID 43678643) is 4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine is CC(CCc1ccccc1)Nc1cnccc1N(C)C.
What is the InChIKey of 4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine?
The InChIKey is HGZXGMNDMLWKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(9-10-15-7-5-4-6-8-15)19-16-13-18-12-11-17(16)20(2)3/h4-8,11-14,19H,9-10H2,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine?
4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine is sourced from PubChem (CID 43678643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).