3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline

C17H28N2O — CID 64533496

IUPAC3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
SMILESCC(C)c1cccc(NCC2CN(C(C)C)CCO2)c1
InChIInChI=1S/C17H28N2O/c1-13(2)15-6-5-7-16(10-15)18-11-17-12-19(14(3)4)8-9-20-17/h5-7,10,13-14,17-18H,8-9,11-12H2,1-4H3
InChIKeyPZSBKNLMSZFCPM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.33
Rot. Bonds5

About 3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline

3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline (PubChem CID 64533496) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
PubChem CID64533496
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
SMILESCC(C)c1cccc(NCC2CN(C(C)C)CCO2)c1
InChIInChI=1S/C17H28N2O/c1-13(2)15-6-5-7-16(10-15)18-11-17-12-19(14(3)4)8-9-20-17/h5-7,10,13-14,17-18H,8-9,11-12H2,1-4H3
InChIKeyPZSBKNLMSZFCPM-UHFFFAOYSA-N
XLogP3.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline (CID 64533496) is 3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline is CC(C)c1cccc(NCC2CN(C(C)C)CCO2)c1.
What is the InChIKey of 3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
The InChIKey is PZSBKNLMSZFCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)15-6-5-7-16(10-15)18-11-17-12-19(14(3)4)8-9-20-17/h5-7,10,13-14,17-18H,8-9,11-12H2,1-4H3.
What are the key properties of 3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline has a molecular weight of 276.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 64533496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).