N-benzyl-2,2-dimethyloxan-4-amine

C14H21NO — CID 2871810

IUPACN-benzyl-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2ccccc2)CCO1
InChIInChI=1S/C14H21NO/c1-14(2)10-13(8-9-16-14)15-11-12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3
InChIKeyMSWLMOCCTHCSBL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.73
Rot. Bonds3

About N-benzyl-2,2-dimethyloxan-4-amine

N-benzyl-2,2-dimethyloxan-4-amine (PubChem CID 2871810) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyloxan-4-amine
PubChem CID2871810
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-benzyl-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2ccccc2)CCO1
InChIInChI=1S/C14H21NO/c1-14(2)10-13(8-9-16-14)15-11-12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3
InChIKeyMSWLMOCCTHCSBL-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyloxan-4-amine?
The IUPAC name of N-benzyl-2,2-dimethyloxan-4-amine (CID 2871810) is N-benzyl-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-benzyl-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-benzyl-2,2-dimethyloxan-4-amine is CC1(C)CC(NCc2ccccc2)CCO1.
What is the InChIKey of N-benzyl-2,2-dimethyloxan-4-amine?
The InChIKey is MSWLMOCCTHCSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2)10-13(8-9-16-14)15-11-12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3.
What are the key properties of N-benzyl-2,2-dimethyloxan-4-amine?
N-benzyl-2,2-dimethyloxan-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 2871810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).