[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine

C11H23NO — CID 106456984

IUPAC[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
SMILESCC(C)COCCC1(CN)CCC1
InChIInChI=1S/C11H23NO/c1-10(2)8-13-7-6-11(9-12)4-3-5-11/h10H,3-9,12H2,1-2H3
InChIKeyZOVQTPFKCAWALZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds6

About [1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine

[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine (PubChem CID 106456984) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
PubChem CID106456984
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
SMILESCC(C)COCCC1(CN)CCC1
InChIInChI=1S/C11H23NO/c1-10(2)8-13-7-6-11(9-12)4-3-5-11/h10H,3-9,12H2,1-2H3
InChIKeyZOVQTPFKCAWALZ-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.18
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

[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine
CID 106459323
[1-(2-methylpropoxymethyl)cyclobutyl]methanamine
CID 97033932
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456986
1-[2-(2-methylpropoxy)ethyl]cyclobutan-1-amine
CID 106459234
[1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine
CID 66024632
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
CID 106456830
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 106457015
ethane;[1-(2-methoxyethyl)cyclobutyl]methanamine
CID 156798324
[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345
2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161222
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 81171018

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine (CID 106456984) is [1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine is CC(C)COCCC1(CN)CCC1.
What is the InChIKey of [1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine?
The InChIKey is ZOVQTPFKCAWALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)8-13-7-6-11(9-12)4-3-5-11/h10H,3-9,12H2,1-2H3.
What are the key properties of [1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine?
[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 106456984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).