2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine

C17H35NO — CID 66359037

IUPAC2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine
SMILESCCCCCCC(C)OC1CC(NC)C1(CC)CC
InChIInChI=1S/C17H35NO/c1-6-9-10-11-12-14(4)19-16-13-15(18-5)17(16,7-2)8-3/h14-16,18H,6-13H2,1-5H3
InChIKeySJHASSKWKYCLJY-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds10

About 2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine

2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine (PubChem CID 66359037) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine
PubChem CID66359037
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine
SMILESCCCCCCC(C)OC1CC(NC)C1(CC)CC
InChIInChI=1S/C17H35NO/c1-6-9-10-11-12-14(4)19-16-13-15(18-5)17(16,7-2)8-3/h14-16,18H,6-13H2,1-5H3
InChIKeySJHASSKWKYCLJY-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.53
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-bromo-1,1-diethyl-4-octan-2-yloxycyclobutane
CID 66343642
2,2-dimethyl-3-octan-2-yloxycyclobutan-1-amine
CID 66357818
3-chloro-1-octan-2-yloxyspiro[3.4]octane
CID 66343644
N,2,2-triethyl-3-propan-2-yloxycyclobutan-1-amine
CID 66359205
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
2,2-diethyl-N-methyl-3-(oxan-4-yloxy)cyclobutan-1-amine
CID 66350897
4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine
CID 63474931
2,2-diethyl-3-(3-methylbutoxy)-N-propylcyclobutan-1-amine
CID 66359399
1,2-di(heptan-2-yloxy)cyclohexane
CID 91603551
3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66356852
tetradecan-2-yloxysilane
CID 173015270
2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine
CID 66356750

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine (CID 66359037) is 2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine is CCCCCCC(C)OC1CC(NC)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine?
The InChIKey is SJHASSKWKYCLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-9-10-11-12-14(4)19-16-13-15(18-5)17(16,7-2)8-3/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine?
2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 10 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-octan-2-yloxycyclobutan-1-amine is sourced from PubChem (CID 66359037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).