6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide

C12H24N2O3 — CID 104761461

IUPAC6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide
SMILESCOC1(CNC(=O)CCCCCN)CCOC1
InChIInChI=1S/C12H24N2O3/c1-16-12(6-8-17-10-12)9-14-11(15)5-3-2-4-7-13/h2-10,13H2,1H3,(H,14,15)
InChIKeyVFLZWZKHVCXYMU-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.43
Rot. Bonds8

About 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide

6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide (PubChem CID 104761461) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide
PubChem CID104761461
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide
SMILESCOC1(CNC(=O)CCCCCN)CCOC1
InChIInChI=1S/C12H24N2O3/c1-16-12(6-8-17-10-12)9-14-11(15)5-3-2-4-7-13/h2-10,13H2,1H3,(H,14,15)
InChIKeyVFLZWZKHVCXYMU-UHFFFAOYSA-N
XLogP0.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.43
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

4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104761417
4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide
CID 104761558
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104761520
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
CID 113450295
2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide
CID 104764443
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide?
The IUPAC name of 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide (CID 104761461) is 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide is COC1(CNC(=O)CCCCCN)CCOC1.
What is the InChIKey of 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide?
The InChIKey is VFLZWZKHVCXYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-16-12(6-8-17-10-12)9-14-11(15)5-3-2-4-7-13/h2-10,13H2,1H3,(H,14,15).
What are the key properties of 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide?
6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide has a molecular weight of 244.33 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide is sourced from PubChem (CID 104761461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).