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

C19H31NO — CID 64851968

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NC(C)Cc2ccccc2)C1(C)C
InChIInChI=1S/C19H31NO/c1-14(2)13-21-18-12-17(19(18,4)5)20-15(3)11-16-9-7-6-8-10-16/h6-10,14-15,17-18,20H,11-13H2,1-5H3
InChIKeyHNKORBFDPLURBW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.05
Rot. Bonds7

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

2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine (PubChem CID 64851968) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
PubChem CID64851968
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NC(C)Cc2ccccc2)C1(C)C
InChIInChI=1S/C19H31NO/c1-14(2)13-21-18-12-17(19(18,4)5)20-15(3)11-16-9-7-6-8-10-16/h6-10,14-15,17-18,20H,11-13H2,1-5H3
InChIKeyHNKORBFDPLURBW-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
CID 64853119
2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 64851570
N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852750
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline
CID 64851558
2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
CID 115642851
[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol
CID 64850786
(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
CID 114283260
2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 65469345
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline
CID 64852334
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64851577
N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine (CID 64851968) is 2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine is CC(C)COC1CC(NC(C)Cc2ccccc2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is HNKORBFDPLURBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)13-21-18-12-17(19(18,4)5)20-15(3)11-16-9-7-6-8-10-16/h6-10,14-15,17-18,20H,11-13H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 64851968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).