N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine

C21H40N2 — CID 23048243

IUPACN,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine
SMILESCCCCC(CC)CN1C=CC(N(CCCC)CCCC)=CC1
InChIInChI=1S/C21H40N2/c1-5-9-12-20(8-4)19-22-17-13-21(14-18-22)23(15-10-6-2)16-11-7-3/h13-14,17,20H,5-12,15-16,18-19H2,1-4H3
InChIKeyGOSQQMYSNOUYHH-UHFFFAOYSA-N
MW320.57 g/mol
LogP5.82
Rot. Bonds13

About N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine

N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine (PubChem CID 23048243) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine.

Molecular Properties

Compound NameN,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine
PubChem CID23048243
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC NameN,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine
SMILESCCCCC(CC)CN1C=CC(N(CCCC)CCCC)=CC1
InChIInChI=1S/C21H40N2/c1-5-9-12-20(8-4)19-22-17-13-21(14-18-22)23(15-10-6-2)16-11-7-3/h13-14,17,20H,5-12,15-16,18-19H2,1-4H3
InChIKeyGOSQQMYSNOUYHH-UHFFFAOYSA-N
XLogP5.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.57
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine?
The IUPAC name of N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine (CID 23048243) is N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine.
What is the SMILES notation for N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine?
The canonical SMILES for N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine is CCCCC(CC)CN1C=CC(N(CCCC)CCCC)=CC1.
What is the InChIKey of N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine?
The InChIKey is GOSQQMYSNOUYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-5-9-12-20(8-4)19-22-17-13-21(14-18-22)23(15-10-6-2)16-11-7-3/h13-14,17,20H,5-12,15-16,18-19H2,1-4H3.
What are the key properties of N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine?
N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine has a molecular weight of 320.57 g/mol, XLogP of 5.82, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-(2-ethylhexyl)-2H-pyridin-4-amine is sourced from PubChem (CID 23048243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).