N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine

C13H27NO — CID 115728811

IUPACN-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine
SMILESCOCCC1(CNC(C)C(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-11(2)12(3)14-10-13(6-5-7-13)8-9-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyRSXGJRAOBYPUML-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.83
Rot. Bonds7

About N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine

N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine (PubChem CID 115728811) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine
PubChem CID115728811
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC NameN-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine
SMILESCOCCC1(CNC(C)C(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-11(2)12(3)14-10-13(6-5-7-13)8-9-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyRSXGJRAOBYPUML-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine
CID 115728783
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine
CID 115906230
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine
CID 115894858
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
1-(2-methoxyethyl)-1-propylcyclobutane
CID 164846249
N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
CID 104649319
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
CID 114112889
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine (CID 115728811) is N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine is COCCC1(CNC(C)C(C)C)CCC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine?
The InChIKey is RSXGJRAOBYPUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)12(3)14-10-13(6-5-7-13)8-9-15-4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine?
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 115728811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).