N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine

C12H25NO — CID 65196075

IUPACN-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
SMILESCCCCC1(CNCCOC)CCC1
InChIInChI=1S/C12H25NO/c1-3-4-6-12(7-5-8-12)11-13-9-10-14-2/h13H,3-11H2,1-2H3
InChIKeySFPYKMKMKRIZKZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds8

About N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine

N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine (PubChem CID 65196075) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
PubChem CID65196075
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
SMILESCCCCC1(CNCCOC)CCC1
InChIInChI=1S/C12H25NO/c1-3-4-6-12(7-5-8-12)11-13-9-10-14-2/h13H,3-11H2,1-2H3
InChIKeySFPYKMKMKRIZKZ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclobutyl]methyl]ethanamine
CID 65196474
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine
CID 63195650
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017
N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 113474207

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine (CID 65196075) is N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine is CCCCC1(CNCCOC)CCC1.
What is the InChIKey of N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine?
The InChIKey is SFPYKMKMKRIZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-6-12(7-5-8-12)11-13-9-10-14-2/h13H,3-11H2,1-2H3.
What are the key properties of N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine?
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 65196075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).