3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine

C14H29NO — CID 66356652

IUPAC3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCCOC1CC(NCCC)C1(C)CC
InChIInChI=1S/C14H29NO/c1-5-8-10-16-13-11-12(15-9-6-2)14(13,4)7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyIJLYXHAHORADTH-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About 3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine

3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine (PubChem CID 66356652) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
PubChem CID66356652
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCCOC1CC(NCCC)C1(C)CC
InChIInChI=1S/C14H29NO/c1-5-8-10-16-13-11-12(15-9-6-2)14(13,4)7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyIJLYXHAHORADTH-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
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

2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66357580
3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66356852
N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65168217
3-butoxy-N-propylspiro[3.6]decan-1-amine
CID 66357055
2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)-N-propylcyclobutan-1-amine
CID 66359419
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
3-cyclopentyloxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356756
3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66351618
2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine
CID 66353076
2-ethyl-3-(4-methoxyphenoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66358954
3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66359337
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine (CID 66356652) is 3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine is CCCCOC1CC(NCCC)C1(C)CC.
What is the InChIKey of 3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The InChIKey is IJLYXHAHORADTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-8-10-16-13-11-12(15-9-6-2)14(13,4)7-3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66356652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).