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

C16H31N3O2 — CID 119858858

IUPAC3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
SMILESCC1CN(CCCCNC(=O)C2CCC(N)C2)CC(C)O1
InChIInChI=1S/C16H31N3O2/c1-12-10-19(11-13(2)21-12)8-4-3-7-18-16(20)14-5-6-15(17)9-14/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyBPRVGGJEHYWMCN-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.12
Rot. Bonds6

About 3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide

3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide (PubChem CID 119858858) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
PubChem CID119858858
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
SMILESCC1CN(CCCCNC(=O)C2CCC(N)C2)CC(C)O1
InChIInChI=1S/C16H31N3O2/c1-12-10-19(11-13(2)21-12)8-4-3-7-18-16(20)14-5-6-15(17)9-14/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyBPRVGGJEHYWMCN-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
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

3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852750
(1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129422421
(2S,5R)-5-(aminomethyl)-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798713
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850859
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylguanidine;hydroiodide
CID 51131455
3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
CID 119902026
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62993831
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide (CID 119858858) is 3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide is CC1CN(CCCCNC(=O)C2CCC(N)C2)CC(C)O1.
What is the InChIKey of 3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide?
The InChIKey is BPRVGGJEHYWMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12-10-19(11-13(2)21-12)8-4-3-7-18-16(20)14-5-6-15(17)9-14/h12-15H,3-11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide?
3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119858858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).