1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone

C15H29N3O2 — CID 144603338

IUPAC1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone
SMILESCC(=O)[C@@H]1CCCC[C@@H]1CN(N)CCN1CCOCC1
InChIInChI=1S/C15H29N3O2/c1-13(19)15-5-3-2-4-14(15)12-18(16)7-6-17-8-10-20-11-9-17/h14-15H,2-12,16H2,1H3/t14-,15+/m1/s1
InChIKeyUTUKWIQSEAFYAL-CABCVRRESA-N
MW283.42 g/mol
LogP0.89
Rot. Bonds6

About 1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone

1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone (PubChem CID 144603338) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone
PubChem CID144603338
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone
SMILESCC(=O)[C@@H]1CCCC[C@@H]1CN(N)CCN1CCOCC1
InChIInChI=1S/C15H29N3O2/c1-13(19)15-5-3-2-4-14(15)12-18(16)7-6-17-8-10-20-11-9-17/h14-15H,2-12,16H2,1H3/t14-,15+/m1/s1
InChIKeyUTUKWIQSEAFYAL-CABCVRRESA-N
XLogP0.89
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone
CID 123827594
acetamide;2-morpholin-4-ylethanamine
CID 158022700
N'-methyl-N-(2-morpholin-4-ylethyl)cyclohexanecarbohydrazide
CID 166885576
N-carbamoyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 144630529
3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid
CID 82330480
1-acetyl-N-methyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 110752371
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propanamide
CID 90607283
1-[1-(2-morpholin-4-ylethyl)piperidin-2-yl]propan-2-one
CID 79539535
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one
CID 79560854
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone (CID 144603338) is 1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone is CC(=O)[C@@H]1CCCC[C@@H]1CN(N)CCN1CCOCC1.
What is the InChIKey of 1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone?
The InChIKey is UTUKWIQSEAFYAL-CABCVRRESA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13(19)15-5-3-2-4-14(15)12-18(16)7-6-17-8-10-20-11-9-17/h14-15H,2-12,16H2,1H3/t14-,15+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone?
1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone has a molecular weight of 283.42 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone is sourced from PubChem (CID 144603338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).