3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine

C15H31NO — CID 66356852

IUPAC3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
SMILESCCCCOC1CC(NCCC)C1(CC)CC
InChIInChI=1S/C15H31NO/c1-5-9-11-17-14-12-13(16-10-6-2)15(14,7-3)8-4/h13-14,16H,5-12H2,1-4H3
InChIKeyQLRWKUCVRRDRQJ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About 3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine

3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine (PubChem CID 66356852) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
PubChem CID66356852
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
SMILESCCCCOC1CC(NCCC)C1(CC)CC
InChIInChI=1S/C15H31NO/c1-5-9-11-17-14-12-13(16-10-6-2)15(14,7-3)8-4/h13-14,16H,5-12H2,1-4H3
InChIKeyQLRWKUCVRRDRQJ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
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

2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine
CID 66353076
2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine
CID 66357579
2,2-diethyl-3-(3-methylbutoxy)-N-propylcyclobutan-1-amine
CID 66359399
3-(2-ethoxyethoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66359597
3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356652
N,2,2-triethyl-3-propoxycyclobutan-1-amine
CID 66358672
3-butoxy-N-propylspiro[3.6]decan-1-amine
CID 66357055
2,2-diethyl-3-(1-methoxypropan-2-yloxy)-N-propylcyclobutan-1-amine
CID 66350058
3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine
CID 115906505
2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine
CID 66358674
2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine
CID 66350677
3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine
CID 82808639

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine (CID 66356852) is 3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine is CCCCOC1CC(NCCC)C1(CC)CC.
What is the InChIKey of 3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine?
The InChIKey is QLRWKUCVRRDRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-9-11-17-14-12-13(16-10-6-2)15(14,7-3)8-4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine?
3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66356852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).