2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine

C19H29NO — CID 83035842

IUPAC2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine
SMILESCCC1(CC)CC(NC2CC(c3ccccc3)C2)CCO1
InChIInChI=1S/C19H29NO/c1-3-19(4-2)14-17(10-11-21-19)20-18-12-16(13-18)15-8-6-5-7-9-15/h5-9,16-18,20H,3-4,10-14H2,1-2H3
InChIKeyNHWVQPSGROGPBX-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.26
Rot. Bonds5

About 2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine

2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine (PubChem CID 83035842) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine
PubChem CID83035842
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine
SMILESCCC1(CC)CC(NC2CC(c3ccccc3)C2)CCO1
InChIInChI=1S/C19H29NO/c1-3-19(4-2)14-17(10-11-21-19)20-18-12-16(13-18)15-8-6-5-7-9-15/h5-9,16-18,20H,3-4,10-14H2,1-2H3
InChIKeyNHWVQPSGROGPBX-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine (CID 83035842) is 2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine is CCC1(CC)CC(NC2CC(c3ccccc3)C2)CCO1.
What is the InChIKey of 2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine?
The InChIKey is NHWVQPSGROGPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-19(4-2)14-17(10-11-21-19)20-18-12-16(13-18)15-8-6-5-7-9-15/h5-9,16-18,20H,3-4,10-14H2,1-2H3.
What are the key properties of 2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine?
2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine has a molecular weight of 287.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine is sourced from PubChem (CID 83035842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).