N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide

C12H27N3O — CID 166838293

IUPACN-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide
SMILESC/N=C/NCCCCCCNCCCOC
InChIInChI=1S/C12H27N3O/c1-13-12-15-9-6-4-3-5-8-14-10-7-11-16-2/h12,14H,3-11H2,1-2H3,(H,13,15)
InChIKeyGDRITMHLKCKULO-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.42
Rot. Bonds12

About N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide

N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide (PubChem CID 166838293) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide
PubChem CID166838293
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide
SMILESC/N=C/NCCCCCCNCCCOC
InChIInChI=1S/C12H27N3O/c1-13-12-15-9-6-4-3-5-8-14-10-7-11-16-2/h12,14H,3-11H2,1-2H3,(H,13,15)
InChIKeyGDRITMHLKCKULO-UHFFFAOYSA-N
XLogP1.42
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3H-Azepin-2-amine, 4,5,6,7-tetrahydro-N-(3-methoxypropyl)-, monohydrochloride
CID 207403
N-(3-methoxypropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 207404
N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 20523788
N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 20523790
N-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 20523799
N-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 20523818
N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 20729987
N-(3-ethoxypropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 78909147
N-(3-propoxypropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 82940935
1-(3-Methoxypropyl)-2-methyl-3-pentylguanidine;hydroiodide
CID 110974944
1-(3-Methoxypropyl)-2-methyl-3-pentylguanidine
CID 110974945
1-Ethyl-2-(3-methoxypropyl)-3-pentylguanidine;hydroiodide
CID 110974946

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide?
The IUPAC name of N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide (CID 166838293) is N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide is C/N=C/NCCCCCCNCCCOC.
What is the InChIKey of N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide?
The InChIKey is GDRITMHLKCKULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-13-12-15-9-6-4-3-5-8-14-10-7-11-16-2/h12,14H,3-11H2,1-2H3,(H,13,15).
What are the key properties of N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide?
N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide has a molecular weight of 229.37 g/mol, XLogP of 1.42, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxypropylamino)hexyl]-N'-methylmethanimidamide is sourced from PubChem (CID 166838293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).