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

C20H33N3O — CID 59230935

IUPACN-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline
SMILESCC(C)[C@@H]1CN(c2ccc(NCC3CCC(N)CC3)cc2)CCO1
InChIInChI=1S/C20H33N3O/c1-15(2)20-14-23(11-12-24-20)19-9-7-18(8-10-19)22-13-16-3-5-17(21)6-4-16/h7-10,15-17,20,22H,3-6,11-14,21H2,1-2H3/t16?,17?,20-/m0/s1
InChIKeyCPKNDGXUABPETH-UHYCVJNDSA-N
MW331.50 g/mol
LogP3.48
Rot. Bonds5

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

N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline (PubChem CID 59230935) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline
PubChem CID59230935
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline
SMILESCC(C)[C@@H]1CN(c2ccc(NCC3CCC(N)CC3)cc2)CCO1
InChIInChI=1S/C20H33N3O/c1-15(2)20-14-23(11-12-24-20)19-9-7-18(8-10-19)22-13-16-3-5-17(21)6-4-16/h7-10,15-17,20,22H,3-6,11-14,21H2,1-2H3/t16?,17?,20-/m0/s1
InChIKeyCPKNDGXUABPETH-UHYCVJNDSA-N
XLogP3.48
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline (CID 59230935) is N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline is CC(C)[C@@H]1CN(c2ccc(NCC3CCC(N)CC3)cc2)CCO1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline?
The InChIKey is CPKNDGXUABPETH-UHYCVJNDSA-N. The full InChI is InChI=1S/C20H33N3O/c1-15(2)20-14-23(11-12-24-20)19-9-7-18(8-10-19)22-13-16-3-5-17(21)6-4-16/h7-10,15-17,20,22H,3-6,11-14,21H2,1-2H3/t16?,17?,20-/m0/s1.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline?
N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline has a molecular weight of 331.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline is sourced from PubChem (CID 59230935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).