2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine

C14H29NO2 — CID 82710964

IUPAC2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)CONC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)8-16-13-7-12(14(13,5)6)15-17-9-11(3)4/h10-13,15H,7-9H2,1-6H3
InChIKeyKQROFDCFZXQFQL-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.00
Rot. Bonds7

About 2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine

2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 82710964) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
PubChem CID82710964
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)CONC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)8-16-13-7-12(14(13,5)6)15-17-9-11(3)4/h10-13,15H,7-9H2,1-6H3
InChIKeyKQROFDCFZXQFQL-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanamide
CID 64851177
N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 103921156
N-(2-cyclopentyloxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850404
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
CID 103921147
(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
CID 114283260
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine
CID 64851363
N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 106008631
N,2,2-trimethyl-3-(3-methylbutoxy)cyclobutan-1-amine
CID 66359193
N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852747
N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64853122
cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 95240984
methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate
CID 64850189

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine (CID 82710964) is 2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine is CC(C)CONC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of 2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is KQROFDCFZXQFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-10(2)8-16-13-7-12(14(13,5)6)15-17-9-11(3)4/h10-13,15H,7-9H2,1-6H3.
What are the key properties of 2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine?
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 82710964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).