1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide

C16H31N3O2 — CID 119858866

IUPAC1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
SMILESCC1CN(CCCCNC(=O)C2(N)CCCC2)CC(C)O1
InChIInChI=1S/C16H31N3O2/c1-13-11-19(12-14(2)21-13)10-6-5-9-18-15(20)16(17)7-3-4-8-16/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyRNYBPDUFSIXSPJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.26
Rot. Bonds6

About 1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide

1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide (PubChem CID 119858866) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
PubChem CID119858866
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
SMILESCC1CN(CCCCNC(=O)C2(N)CCCC2)CC(C)O1
InChIInChI=1S/C16H31N3O2/c1-13-11-19(12-14(2)21-13)10-6-5-9-18-15(20)16(17)7-3-4-8-16/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyRNYBPDUFSIXSPJ-UHFFFAOYSA-N
XLogP1.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.26
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

1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852759
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
CID 119858913
(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide
CID 97039119
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride
CID 120564879
1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851085
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
1-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 61241468

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide (CID 119858866) is 1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide is CC1CN(CCCCNC(=O)C2(N)CCCC2)CC(C)O1.
What is the InChIKey of 1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide?
The InChIKey is RNYBPDUFSIXSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13-11-19(12-14(2)21-13)10-6-5-9-18-15(20)16(17)7-3-4-8-16/h13-14H,3-12,17H2,1-2H3,(H,18,20).
What are the key properties of 1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide?
1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119858866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).