1-N'-methylcyclooctane-1,1-diamine

C9H20N2 — CID 70269680

IUPAC1-N'-methylcyclooctane-1,1-diamine
SMILESCNC1(N)CCCCCCC1
InChIInChI=1S/C9H20N2/c1-11-9(10)7-5-3-2-4-6-8-9/h11H,2-8,10H2,1H3
InChIKeyYJFQQJIOWUAULN-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.61
Rot. Bonds1

About 1-N'-methylcyclooctane-1,1-diamine

1-N'-methylcyclooctane-1,1-diamine (PubChem CID 70269680) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N'-methylcyclooctane-1,1-diamine.

Molecular Properties

Compound Name1-N'-methylcyclooctane-1,1-diamine
PubChem CID70269680
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N'-methylcyclooctane-1,1-diamine
SMILESCNC1(N)CCCCCCC1
InChIInChI=1S/C9H20N2/c1-11-9(10)7-5-3-2-4-6-8-9/h11H,2-8,10H2,1H3
InChIKeyYJFQQJIOWUAULN-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-N'-methylpiperidine-4,4-diamine
CID 167022021
1-N'-(2-methylpropyl)cyclohexane-1,1-diamine
CID 175006053
CID 145159895
CID 145159895
1-N'-(4-methylphenyl)cyclohexane-1,1-diamine
CID 90750604
bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
carbanide;1-methylcyclohexan-1-amine;vanadium
CID 159436191
cyclohexane-1,1-diamine;platinum(2+)
CID 22338759
(1-aminocyclohexyl)-dimethylsulfanium
CID 172764845
1-(2-methylbutan-2-yl)cycloheptan-1-amine
CID 90700569
1-[1-(methylamino)cycloheptyl]ethanone
CID 59493685
2-N'-methyl-1,3-dihydroindene-2,2-diamine
CID 143105320
1-iodocyclotridecan-1-amine
CID 134396656

Frequently Asked Questions

What is the IUPAC name of 1-N'-methylcyclooctane-1,1-diamine?
The IUPAC name of 1-N'-methylcyclooctane-1,1-diamine (CID 70269680) is 1-N'-methylcyclooctane-1,1-diamine.
What is the SMILES notation for 1-N'-methylcyclooctane-1,1-diamine?
The canonical SMILES for 1-N'-methylcyclooctane-1,1-diamine is CNC1(N)CCCCCCC1.
What is the InChIKey of 1-N'-methylcyclooctane-1,1-diamine?
The InChIKey is YJFQQJIOWUAULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-11-9(10)7-5-3-2-4-6-8-9/h11H,2-8,10H2,1H3.
What are the key properties of 1-N'-methylcyclooctane-1,1-diamine?
1-N'-methylcyclooctane-1,1-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methylcyclooctane-1,1-diamine is sourced from PubChem (CID 70269680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).