6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide

C13H27N3 — CID 172957943

IUPAC6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide
SMILESCN/N=C(\N)C1CCCCC(C)CCCC1
InChIInChI=1S/C13H27N3/c1-11-7-3-5-9-12(10-6-4-8-11)13(14)16-15-2/h11-12,15H,3-10H2,1-2H3,(H2,14,16)
InChIKeyFNAWOUJGNQHWBC-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.86
Rot. Bonds2

About 6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide

6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide (PubChem CID 172957943) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide.

Molecular Properties

Compound Name6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide
PubChem CID172957943
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide
SMILESCN/N=C(\N)C1CCCCC(C)CCCC1
InChIInChI=1S/C13H27N3/c1-11-7-3-5-9-12(10-6-4-8-11)13(14)16-15-2/h11-12,15H,3-10H2,1-2H3,(H2,14,16)
InChIKeyFNAWOUJGNQHWBC-UHFFFAOYSA-N
XLogP2.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide?
The IUPAC name of 6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide (CID 172957943) is 6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide.
What is the SMILES notation for 6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide?
The canonical SMILES for 6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide is CN/N=C(\N)C1CCCCC(C)CCCC1.
What is the InChIKey of 6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide?
The InChIKey is FNAWOUJGNQHWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11-7-3-5-9-12(10-6-4-8-11)13(14)16-15-2/h11-12,15H,3-10H2,1-2H3,(H2,14,16).
What are the key properties of 6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide?
6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide has a molecular weight of 225.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide is sourced from PubChem (CID 172957943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).