N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C16H27N3O — CID 106620441

IUPACN-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCCCCN(CC1CCCN1)c1cccc(OCC)n1
InChIInChI=1S/C16H27N3O/c1-3-5-12-19(13-14-8-7-11-17-14)15-9-6-10-16(18-15)20-4-2/h6,9-10,14,17H,3-5,7-8,11-13H2,1-2H3
InChIKeyBJPSLWOKTSUUPI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.84
Rot. Bonds8

About N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106620441) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106620441
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCCCCN(CC1CCCN1)c1cccc(OCC)n1
InChIInChI=1S/C16H27N3O/c1-3-5-12-19(13-14-8-7-11-17-14)15-9-6-10-16(18-15)20-4-2/h6,9-10,14,17H,3-5,7-8,11-13H2,1-2H3
InChIKeyBJPSLWOKTSUUPI-UHFFFAOYSA-N
XLogP2.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 106620470
N-butyl-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620371
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-ethyl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106619421
N-butyl-4,6-dimethoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620394
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620455
N-butyl-N-(pyrrolidin-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 106620444
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carboxamide
CID 106620244
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridazin-3-amine
CID 106619840
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
CID 106620429
6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620698

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106620441) is N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is CCCCN(CC1CCCN1)c1cccc(OCC)n1.
What is the InChIKey of N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is BJPSLWOKTSUUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-5-12-19(13-14-8-7-11-17-14)15-9-6-10-16(18-15)20-4-2/h6,9-10,14,17H,3-5,7-8,11-13H2,1-2H3.
What are the key properties of N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106620441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).