N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine

C13H27NO — CID 79368939

IUPACN-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCOC1C(C)(C)C
InChIInChI=1S/C13H27NO/c1-12(2,3)11-10(7-8-15-11)9-14-13(4,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyJGAWSIJJTXJTBN-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds2

About N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine

N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 79368939) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID79368939
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCOC1C(C)(C)C
InChIInChI=1S/C13H27NO/c1-12(2,3)11-10(7-8-15-11)9-14-13(4,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyJGAWSIJJTXJTBN-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine (CID 79368939) is N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCOC1C(C)(C)C.
What is the InChIKey of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is JGAWSIJJTXJTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)11-10(7-8-15-11)9-14-13(4,5)6/h10-11,14H,7-9H2,1-6H3.
What are the key properties of N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine?
N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79368939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).