N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine

C17H27N3O — CID 64850342

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine
SMILESCCOC1CC(Nc2ccc(N3CCCC3)nc2)C1(C)C
InChIInChI=1S/C17H27N3O/c1-4-21-15-11-14(17(15,2)3)19-13-7-8-16(18-12-13)20-9-5-6-10-20/h7-8,12,14-15,19H,4-6,9-11H2,1-3H3
InChIKeyYEPCPJCVGFEGBB-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.30
Rot. Bonds5

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 64850342) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine
PubChem CID64850342
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine
SMILESCCOC1CC(Nc2ccc(N3CCCC3)nc2)C1(C)C
InChIInChI=1S/C17H27N3O/c1-4-21-15-11-14(17(15,2)3)19-13-7-8-16(18-12-13)20-9-5-6-10-20/h7-8,12,14-15,19H,4-6,9-11H2,1-3H3
InChIKeyYEPCPJCVGFEGBB-UHFFFAOYSA-N
XLogP3.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline
CID 64850915
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol
CID 64850757
N-(3-ethylcyclopentyl)-6-piperidin-1-ylpyridin-3-amine
CID 64501061
N-(cyclopropylmethyl)-6-piperidin-1-ylpyridin-3-amine
CID 43690356
N-cyclohexyl-6-piperidin-1-ylpyridin-3-amine
CID 43690330
(1S,3R)-3-ethoxy-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]spiro[3.3]heptan-1-amine
CID 99820365
2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol
CID 107678106
N-(3,3-dimethylcyclopentyl)-6-piperidin-1-ylpyridin-3-amine
CID 80705366
N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine
CID 79836731
N-(1-ethoxypropan-2-yl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 115922081
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine (CID 64850342) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine is CCOC1CC(Nc2ccc(N3CCCC3)nc2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is YEPCPJCVGFEGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-21-15-11-14(17(15,2)3)19-13-7-8-16(18-12-13)20-9-5-6-10-20/h7-8,12,14-15,19H,4-6,9-11H2,1-3H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 289.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 64850342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).