3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine

C18H33N3 — CID 107871204

IUPAC3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
SMILESCCNCc1cccnc1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C18H33N3/c1-6-19-14-17-8-7-11-20-18(17)21(12-9-15(2)3)13-10-16(4)5/h7-8,11,15-16,19H,6,9-10,12-14H2,1-5H3
InChIKeyGOLXUAWTSPKCDF-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.09
Rot. Bonds10

About 3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine

3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine (PubChem CID 107871204) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
PubChem CID107871204
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
SMILESCCNCc1cccnc1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C18H33N3/c1-6-19-14-17-8-7-11-20-18(17)21(12-9-15(2)3)13-10-16(4)5/h7-8,11,15-16,19H,6,9-10,12-14H2,1-5H3
InChIKeyGOLXUAWTSPKCDF-UHFFFAOYSA-N
XLogP4.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
2-Aminopyridine
CID 10439
Tripelennamine Hydrochloride
CID 9066
2-Amino-4-methylpyridine
CID 1533
Rivanicline
CID 5310967
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
1-(2-Pyridyl)piperazine
CID 94459
N-2-Pyridylaniline
CID 81130
2-Dimethylaminopyridine
CID 21885

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine (CID 107871204) is 3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine is CCNCc1cccnc1N(CCC(C)C)CCC(C)C.
What is the InChIKey of 3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine?
The InChIKey is GOLXUAWTSPKCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-19-14-17-8-7-11-20-18(17)21(12-9-15(2)3)13-10-16(4)5/h7-8,11,15-16,19H,6,9-10,12-14H2,1-5H3.
What are the key properties of 3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine?
3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 107871204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).