5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine

C16H27N3O — CID 65168199

IUPAC5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCCOC1CC(Nc2ccc(N(C)C)nc2)C1(C)CC
InChIInChI=1S/C16H27N3O/c1-6-16(3)13(10-14(16)20-7-2)18-12-8-9-15(17-11-12)19(4)5/h8-9,11,13-14,18H,6-7,10H2,1-5H3
InChIKeyFCIIJVMBDWYCPD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.15
Rot. Bonds6

About 5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 65168199) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID65168199
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCCOC1CC(Nc2ccc(N(C)C)nc2)C1(C)CC
InChIInChI=1S/C16H27N3O/c1-6-16(3)13(10-14(16)20-7-2)18-12-8-9-15(17-11-12)19(4)5/h8-9,11,13-14,18H,6-7,10H2,1-5H3
InChIKeyFCIIJVMBDWYCPD-UHFFFAOYSA-N
XLogP3.15
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 65295488
1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376095
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline
CID 65170411
2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol
CID 107679223
6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
CID 114051597
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine
CID 116812956
2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline
CID 65467782
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethynylaniline
CID 65170013
3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 65169503
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-fluoro-2-methylaniline
CID 65168180
N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 64850342
3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]benzamide
CID 65167560

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine (CID 65168199) is 5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine is CCOC1CC(Nc2ccc(N(C)C)nc2)C1(C)CC.
What is the InChIKey of 5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is FCIIJVMBDWYCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-16(3)13(10-14(16)20-7-2)18-12-8-9-15(17-11-12)19(4)5/h8-9,11,13-14,18H,6-7,10H2,1-5H3.
What are the key properties of 5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 277.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 65168199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).