cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine

C15H24N2O — CID 97029399

IUPACcis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
SMILESCCO[C@@H]1C[C@H](N(C)Cc2ccccn2)C1(C)C
InChIInChI=1S/C15H24N2O/c1-5-18-14-10-13(15(14,2)3)17(4)11-12-8-6-7-9-16-12/h6-9,13-14H,5,10-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyRLNORTZEIPICSK-UONOGXRCSA-N
MW248.37 g/mol
LogP2.72
Rot. Bonds5

About cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine

cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine (PubChem CID 97029399) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
PubChem CID97029399
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Namecis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
SMILESCCO[C@@H]1C[C@H](N(C)Cc2ccccn2)C1(C)C
InChIInChI=1S/C15H24N2O/c1-5-18-14-10-13(15(14,2)3)17(4)11-12-8-6-7-9-16-12/h6-9,13-14H,5,10-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyRLNORTZEIPICSK-UONOGXRCSA-N
XLogP2.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 102557991
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81401968
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
CID 79469541
2-[(3-ethylcyclobutyl)oxymethyl]pyridine
CID 170582773
2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 80999490
1-(aminomethyl)-3-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutan-1-amine
CID 106821725
3-(1-adamantyl)-1-methyl-1-(pyridin-2-ylmethyl)thiourea
CID 13414451
N-ethyl-3,3-dimethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 114235759
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methoxypyridin-2-amine
CID 103932429
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine (CID 97029399) is cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine is CCO[C@@H]1C[C@H](N(C)Cc2ccccn2)C1(C)C.
What is the InChIKey of cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is RLNORTZEIPICSK-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-18-14-10-13(15(14,2)3)17(4)11-12-8-6-7-9-16-12/h6-9,13-14H,5,10-11H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 97029399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).