3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine

C15H25N3O — CID 64853075

IUPAC3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCOC1CC(Nc2cnccc2N(C)C)C1(C)C
InChIInChI=1S/C15H25N3O/c1-6-19-14-9-13(15(14,2)3)17-11-10-16-8-7-12(11)18(4)5/h7-8,10,13-14,17H,6,9H2,1-5H3
InChIKeyOYZVPXBMAFDBJW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.76
Rot. Bonds5

About 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 64853075) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID64853075
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCOC1CC(Nc2cnccc2N(C)C)C1(C)C
InChIInChI=1S/C15H25N3O/c1-6-19-14-9-13(15(14,2)3)17-11-10-16-8-7-12(11)18(4)5/h7-8,10,13-14,17H,6,9H2,1-5H3
InChIKeyOYZVPXBMAFDBJW-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 64851917
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
CID 64852282
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
CID 64851695
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 81406092
3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678524
2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine
CID 114118711
2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline
CID 107630674
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine
CID 103703320
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoro-4-methylaniline
CID 64853264
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline
CID 64850520
6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
CID 114051597
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine
CID 64851147

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine (CID 64853075) is 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine is CCOC1CC(Nc2cnccc2N(C)C)C1(C)C.
What is the InChIKey of 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is OYZVPXBMAFDBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-19-14-9-13(15(14,2)3)17-11-10-16-8-7-12(11)18(4)5/h7-8,10,13-14,17H,6,9H2,1-5H3.
What are the key properties of 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 263.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 64853075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).