2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide

C16H31N3O2 — CID 63611880

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESNCC1CCC(CC(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C16H31N3O2/c17-13-15-4-2-14(3-5-15)12-16(20)18-6-1-7-19-8-10-21-11-9-19/h14-15H,1-13,17H2,(H,18,20)
InChIKeyDTZYKFXITWSDHY-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.98
Rot. Bonds7

About 2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 63611880) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID63611880
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESNCC1CCC(CC(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C16H31N3O2/c17-13-15-4-2-14(3-5-15)12-16(20)18-6-1-7-19-8-10-21-11-9-19/h14-15H,1-13,17H2,(H,18,20)
InChIKeyDTZYKFXITWSDHY-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 63613064
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 60846570
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
CID 173284706
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 55116762
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 63611880) is 2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide is NCC1CCC(CC(=O)NCCCN2CCOCC2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is DTZYKFXITWSDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c17-13-15-4-2-14(3-5-15)12-16(20)18-6-1-7-19-8-10-21-11-9-19/h14-15H,1-13,17H2,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 297.44 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 63611880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).