N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline

C17H26N2O — CID 43100372

IUPACN-(3-methylcyclohexyl)-4-morpholin-4-ylaniline
SMILESCC1CCCC(Nc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C17H26N2O/c1-14-3-2-4-16(13-14)18-15-5-7-17(8-6-15)19-9-11-20-12-10-19/h5-8,14,16,18H,2-4,9-13H2,1H3
InChIKeyXXCNYCBXDZZMGT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.51
Rot. Bonds3

About N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline

N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline (PubChem CID 43100372) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-4-morpholin-4-ylaniline
PubChem CID43100372
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-methylcyclohexyl)-4-morpholin-4-ylaniline
SMILESCC1CCCC(Nc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C17H26N2O/c1-14-3-2-4-16(13-14)18-15-5-7-17(8-6-15)19-9-11-20-12-10-19/h5-8,14,16,18H,2-4,9-13H2,1H3
InChIKeyXXCNYCBXDZZMGT-UHFFFAOYSA-N
XLogP3.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
4-(4-morpholin-4-ylanilino)azepan-2-one
CID 63888088
2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 63180098
trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 102731235
N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193592
4-pyrrolidin-1-yl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43732195
2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine
CID 102671016
4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline
CID 43726303
1-methyl-5-[(3-methylcyclohexyl)amino]pyridin-2-one
CID 60932533
4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline?
The IUPAC name of N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline (CID 43100372) is N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline.
What is the SMILES notation for N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline?
The canonical SMILES for N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline is CC1CCCC(Nc2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline?
The InChIKey is XXCNYCBXDZZMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-3-2-4-16(13-14)18-15-5-7-17(8-6-15)19-9-11-20-12-10-19/h5-8,14,16,18H,2-4,9-13H2,1H3.
What are the key properties of N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline?
N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline has a molecular weight of 274.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline is sourced from PubChem (CID 43100372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).