7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide

C13H26N2O2 — CID 82738211

IUPAC7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide
SMILESCC1OCCC1N(C)C(=O)CCCCCCN
InChIInChI=1S/C13H26N2O2/c1-11-12(8-10-17-11)15(2)13(16)7-5-3-4-6-9-14/h11-12H,3-10,14H2,1-2H3
InChIKeyZCCBOJKKFXGXJM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds7

About 7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide

7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide (PubChem CID 82738211) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide
PubChem CID82738211
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide
SMILESCC1OCCC1N(C)C(=O)CCCCCCN
InChIInChI=1S/C13H26N2O2/c1-11-12(8-10-17-11)15(2)13(16)7-5-3-4-6-9-14/h11-12H,3-10,14H2,1-2H3
InChIKeyZCCBOJKKFXGXJM-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide?
The IUPAC name of 7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide (CID 82738211) is 7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide.
What is the SMILES notation for 7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide?
The canonical SMILES for 7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide is CC1OCCC1N(C)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide?
The InChIKey is ZCCBOJKKFXGXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-12(8-10-17-11)15(2)13(16)7-5-3-4-6-9-14/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide?
7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide has a molecular weight of 242.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide is sourced from PubChem (CID 82738211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).