N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine

C11H23NO — CID 123451073

IUPACN-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine
SMILESCC(C)(C)CC(C)(C)NC1CCO1
InChIInChI=1S/C11H23NO/c1-10(2,3)8-11(4,5)12-9-6-7-13-9/h9,12H,6-8H2,1-5H3
InChIKeyPRUAZXHHGSWWDF-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.54
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine

N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine (PubChem CID 123451073) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine
PubChem CID123451073
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine
SMILESCC(C)(C)CC(C)(C)NC1CCO1
InChIInChI=1S/C11H23NO/c1-10(2,3)8-11(4,5)12-9-6-7-13-9/h9,12H,6-8H2,1-5H3
InChIKeyPRUAZXHHGSWWDF-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine
CID 97358634
N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine
CID 43434257
N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine
CID 43434260
2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol
CID 91132271
3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
CID 64745213
3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
CID 112681988
N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
CID 115336509
N,2,4,4-tetramethylpentan-2-amine
CID 20714825
1-cyclohexyl-2-(2,4,4-trimethylpentan-2-yl)hydrazine
CID 143304936
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 98785433
N,N-dimethyl-4-(2,4,4-trimethylpentan-2-ylamino)piperidine-1-carboxamide
CID 83262362
(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine
CID 97338287

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine (CID 123451073) is N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine is CC(C)(C)CC(C)(C)NC1CCO1.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine?
The InChIKey is PRUAZXHHGSWWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)8-11(4,5)12-9-6-7-13-9/h9,12H,6-8H2,1-5H3.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine?
N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine is sourced from PubChem (CID 123451073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).