N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine

C13H21N3O — CID 113371381

IUPACN-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine
SMILESCCOc1cccnc1N(C)CC1CC(N)C1
InChIInChI=1S/C13H21N3O/c1-3-17-12-5-4-6-15-13(12)16(2)9-10-7-11(14)8-10/h4-6,10-11H,3,7-9,14H2,1-2H3
InChIKeyRJRWCHQRNVCGFC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds5

About N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine

N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine (PubChem CID 113371381) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine
PubChem CID113371381
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine
SMILESCCOc1cccnc1N(C)CC1CC(N)C1
InChIInChI=1S/C13H21N3O/c1-3-17-12-5-4-6-15-13(12)16(2)9-10-7-11(14)8-10/h4-6,10-11H,3,7-9,14H2,1-2H3
InChIKeyRJRWCHQRNVCGFC-UHFFFAOYSA-N
XLogP1.65
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine
CID 66324953
N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
CID 106543443
ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
CID 106642853
3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine
CID 112651436
4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine
CID 113370712
3-ethoxy-2-fluoropyridine
CID 11355527
ethane;3-ethoxy-2-fluoropyridine
CID 144753234
4-N-(2-ethoxyphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029195
3-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 63878354
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine
CID 113371355

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine (CID 113371381) is N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine is CCOc1cccnc1N(C)CC1CC(N)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine?
The InChIKey is RJRWCHQRNVCGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-17-12-5-4-6-15-13(12)16(2)9-10-7-11(14)8-10/h4-6,10-11H,3,7-9,14H2,1-2H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine?
N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine is sourced from PubChem (CID 113371381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).