3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine

C16H21N3 — CID 115377049

IUPAC3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
SMILESCc1ccc(NC(C)c2cccnc2)cc1N(C)C
InChIInChI=1S/C16H21N3/c1-12-7-8-15(10-16(12)19(3)4)18-13(2)14-6-5-9-17-11-14/h5-11,13,18H,1-4H3
InChIKeyVOPYYRCTUPZVND-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.63
Rot. Bonds4

About 3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine (PubChem CID 115377049) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
PubChem CID115377049
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
SMILESCc1ccc(NC(C)c2cccnc2)cc1N(C)C
InChIInChI=1S/C16H21N3/c1-12-7-8-15(10-16(12)19(3)4)18-13(2)14-6-5-9-17-11-14/h5-11,13,18H,1-4H3
InChIKeyVOPYYRCTUPZVND-UHFFFAOYSA-N
XLogP3.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine
CID 115376862
3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 115376804
3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine
CID 115377201
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
CID 43380580
2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile
CID 43722276
N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide
CID 43731864
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862
2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine
CID 43745111
N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661
2-fluoro-4-(1-pyridin-3-ylethylamino)benzenecarbothioamide
CID 115367935
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine (CID 115377049) is 3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine is Cc1ccc(NC(C)c2cccnc2)cc1N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine?
The InChIKey is VOPYYRCTUPZVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-7-8-15(10-16(12)19(3)4)18-13(2)14-6-5-9-17-11-14/h5-11,13,18H,1-4H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 115377049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).