N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine

C17H27NO — CID 43778507

IUPACN-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine
SMILESCC(CC(C)(C)c1ccccc1)NC1CCOCC1
InChIInChI=1S/C17H27NO/c1-14(18-16-9-11-19-12-10-16)13-17(2,3)15-7-5-4-6-8-15/h4-8,14,16,18H,9-13H2,1-3H3
InChIKeyYIGTYZYZEDOZBT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds5

About N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine

N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine (PubChem CID 43778507) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine
PubChem CID43778507
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine
SMILESCC(CC(C)(C)c1ccccc1)NC1CCOCC1
InChIInChI=1S/C17H27NO/c1-14(18-16-9-11-19-12-10-16)13-17(2,3)15-7-5-4-6-8-15/h4-8,14,16,18H,9-13H2,1-3H3
InChIKeyYIGTYZYZEDOZBT-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine?
The IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine (CID 43778507) is N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine.
What is the SMILES notation for N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine?
The canonical SMILES for N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine is CC(CC(C)(C)c1ccccc1)NC1CCOCC1.
What is the InChIKey of N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine?
The InChIKey is YIGTYZYZEDOZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(18-16-9-11-19-12-10-16)13-17(2,3)15-7-5-4-6-8-15/h4-8,14,16,18H,9-13H2,1-3H3.
What are the key properties of N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine?
N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine is sourced from PubChem (CID 43778507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).