N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine

C12H25NO — CID 177265362

IUPACN-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine
SMILESCC(C)OC1CC(NCC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-9(2)14-11-6-10(7-11)13-8-12(3,4)5/h9-11,13H,6-8H2,1-5H3
InChIKeyORFIFRDPMZVKGQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds4

About N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine

N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine (PubChem CID 177265362) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine
PubChem CID177265362
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine
SMILESCC(C)OC1CC(NCC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-9(2)14-11-6-10(7-11)13-8-12(3,4)5/h9-11,13H,6-8H2,1-5H3
InChIKeyORFIFRDPMZVKGQ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N-(2,2-dimethylpropyl)-1-methyl-5-propan-2-ylpiperidin-3-amine
CID 83994824
2,3-dimethyl-1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]pentan-2-ol
CID 110010568
N-ethyl-3-pentan-2-yloxycyclobutan-1-amine
CID 102988766
N-(2,2-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104588064
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
1-(1-cyclobutylethyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995335
1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane
CID 164775367
1-bromo-3-propan-2-yloxycyclobutane
CID 66344883
cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
CID 130223743
1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
CID 153444524
1-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]ethanol
CID 83994912
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine (CID 177265362) is N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine is CC(C)OC1CC(NCC(C)(C)C)C1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine?
The InChIKey is ORFIFRDPMZVKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)14-11-6-10(7-11)13-8-12(3,4)5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine?
N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-propan-2-yloxycyclobutan-1-amine is sourced from PubChem (CID 177265362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).