N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine

C16H25NO — CID 63335747

IUPACN-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine
SMILESCC(C)(C)CC(NC1CCOC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,3)11-15(13-7-5-4-6-8-13)17-14-9-10-18-12-14/h4-8,14-15,17H,9-12H2,1-3H3
InChIKeyJCPHEFUQZNLDIN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds4

About N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine

N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine (PubChem CID 63335747) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine
PubChem CID63335747
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine
SMILESCC(C)(C)CC(NC1CCOC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,3)11-15(13-7-5-4-6-8-13)17-14-9-10-18-12-14/h4-8,14-15,17H,9-12H2,1-3H3
InChIKeyJCPHEFUQZNLDIN-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine (CID 63335747) is N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine is CC(C)(C)CC(NC1CCOC1)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine?
The InChIKey is JCPHEFUQZNLDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)11-15(13-7-5-4-6-8-13)17-14-9-10-18-12-14/h4-8,14-15,17H,9-12H2,1-3H3.
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine?
N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine is sourced from PubChem (CID 63335747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).