N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline

C16H22N4O — CID 63180015

IUPACN-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
SMILESc1cn(CCCNc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C16H22N4O/c1(8-19-9-7-17-14-19)6-18-15-2-4-16(5-3-15)20-10-12-21-13-11-20/h2-5,7,9,14,18H,1,6,8,10-13H2
InChIKeyYXBCNAIXTRPNMO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.22
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline

N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline (PubChem CID 63180015) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
PubChem CID63180015
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
SMILESc1cn(CCCNc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C16H22N4O/c1(8-19-9-7-17-14-19)6-18-15-2-4-16(5-3-15)20-10-12-21-13-11-20/h2-5,7,9,14,18H,1,6,8,10-13H2
InChIKeyYXBCNAIXTRPNMO-UHFFFAOYSA-N
XLogP2.22
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 60658076
N-butyl-4-morpholin-4-ylaniline
CID 28675754
4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline
CID 63180016
(2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 97236237
N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
CID 65093375
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
4-morpholin-4-yl-N-pent-4-ynylaniline
CID 113374169
5-(4-morpholin-4-ylanilino)pentanenitrile
CID 63172451
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378188
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline (CID 63180015) is N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline is c1cn(CCCNc2ccc(N3CCOCC3)cc2)cn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline?
The InChIKey is YXBCNAIXTRPNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1(8-19-9-7-17-14-19)6-18-15-2-4-16(5-3-15)20-10-12-21-13-11-20/h2-5,7,9,14,18H,1,6,8,10-13H2.
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline?
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline has a molecular weight of 286.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline is sourced from PubChem (CID 63180015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).