2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine

C12H25NO — CID 66358674

IUPAC2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine
SMILESCCCOC1CC(NC)C1(CC)CC
InChIInChI=1S/C12H25NO/c1-5-8-14-11-9-10(13-4)12(11,6-2)7-3/h10-11,13H,5-9H2,1-4H3
InChIKeyOXQYZCOEMAJKBI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About 2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine

2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine (PubChem CID 66358674) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine
PubChem CID66358674
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine
SMILESCCCOC1CC(NC)C1(CC)CC
InChIInChI=1S/C12H25NO/c1-5-8-14-11-9-10(13-4)12(11,6-2)7-3/h10-11,13H,5-9H2,1-4H3
InChIKeyOXQYZCOEMAJKBI-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine
CID 95781902
N,2,2-triethyl-3-propoxycyclobutan-1-amine
CID 66358672
3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66356852
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
2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine
CID 66353076
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine
CID 66359037
2,2-diethyl-N-methyl-3-(oxan-4-yloxy)cyclobutan-1-amine
CID 66350897
2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine
CID 66356750
3-(1-ethoxypropan-2-yloxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 103491330

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine (CID 66358674) is 2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine is CCCOC1CC(NC)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine?
The InChIKey is OXQYZCOEMAJKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-8-14-11-9-10(13-4)12(11,6-2)7-3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine?
2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine is sourced from PubChem (CID 66358674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).