N,6-dimethylpyridin-3-amine;ethane;N-methylaniline

C20H37N3 — CID 158049344

IUPACN,6-dimethylpyridin-3-amine;ethane;N-methylaniline
SMILESCC.CC.CC.CNc1ccc(C)nc1.CNc1ccccc1
InChIInChI=1S/C7H10N2.C7H9N.3C2H6/c1-6-3-4-7(8-2)5-9-6;1-8-7-5-3-2-4-6-7;3*1-2/h3-5,8H,1-2H3;2-6,8H,1H3;3*1-2H3
InChIKeyFJHFDCGOTLWFFR-UHFFFAOYSA-N
MW319.54 g/mol
LogP6.24
Rot. Bonds2

About N,6-dimethylpyridin-3-amine;ethane;N-methylaniline

N,6-dimethylpyridin-3-amine;ethane;N-methylaniline (PubChem CID 158049344) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is N,6-dimethylpyridin-3-amine;ethane;N-methylaniline.

Molecular Properties

Compound NameN,6-dimethylpyridin-3-amine;ethane;N-methylaniline
PubChem CID158049344
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC NameN,6-dimethylpyridin-3-amine;ethane;N-methylaniline
SMILESCC.CC.CC.CNc1ccc(C)nc1.CNc1ccccc1
InChIInChI=1S/C7H10N2.C7H9N.3C2H6/c1-6-3-4-7(8-2)5-9-6;1-8-7-5-3-2-4-6-7;3*1-2/h3-5,8H,1-2H3;2-6,8H,1H3;3*1-2H3
InChIKeyFJHFDCGOTLWFFR-UHFFFAOYSA-N
XLogP6.24
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.54
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 157283458
CID 157283458
magnesium;N-methylaniline;bromide
CID 173157225
potassium;hydride;N-methylaniline
CID 174147350
ethane;N-methylpyridin-3-amine
CID 91430147
butane;ethane;N-methylaniline
CID 143420786
(6-methyl-3-pyridinyl)hydrazine;dihydrochloride
CID 118988239
magnesium;hydride;N-methylaniline;hydrobromide
CID 173230530
azane;cyclopropane;N-methylaniline
CID 23460316
azane;N-methylpyridin-3-amine
CID 70247108
2-[(6-methyl-3-pyridinyl)amino]acetic acid
CID 20805778
ethane;6-ethyl-N-methylpyridin-3-amine
CID 142596426
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841

Frequently Asked Questions

What is the IUPAC name of N,6-dimethylpyridin-3-amine;ethane;N-methylaniline?
The IUPAC name of N,6-dimethylpyridin-3-amine;ethane;N-methylaniline (CID 158049344) is N,6-dimethylpyridin-3-amine;ethane;N-methylaniline.
What is the SMILES notation for N,6-dimethylpyridin-3-amine;ethane;N-methylaniline?
The canonical SMILES for N,6-dimethylpyridin-3-amine;ethane;N-methylaniline is CC.CC.CC.CNc1ccc(C)nc1.CNc1ccccc1.
What is the InChIKey of N,6-dimethylpyridin-3-amine;ethane;N-methylaniline?
The InChIKey is FJHFDCGOTLWFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C7H9N.3C2H6/c1-6-3-4-7(8-2)5-9-6;1-8-7-5-3-2-4-6-7;3*1-2/h3-5,8H,1-2H3;2-6,8H,1H3;3*1-2H3.
What are the key properties of N,6-dimethylpyridin-3-amine;ethane;N-methylaniline?
N,6-dimethylpyridin-3-amine;ethane;N-methylaniline has a molecular weight of 319.54 g/mol, XLogP of 6.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethylpyridin-3-amine;ethane;N-methylaniline is sourced from PubChem (CID 158049344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).