N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine

C18H36N2 — CID 115998056

IUPACN-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine
SMILESCCCCCCCCC(NC)C1CC2CCC(C1)N2C
InChIInChI=1S/C18H36N2/c1-4-5-6-7-8-9-10-18(19-2)15-13-16-11-12-17(14-15)20(16)3/h15-19H,4-14H2,1-3H3
InChIKeyIEYHMMUZOQIHPX-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds9

About N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine

N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine (PubChem CID 115998056) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine
PubChem CID115998056
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine
SMILESCCCCCCCCC(NC)C1CC2CCC(C1)N2C
InChIInChI=1S/C18H36N2/c1-4-5-6-7-8-9-10-18(19-2)15-13-16-11-12-17(14-15)20(16)3/h15-19H,4-14H2,1-3H3
InChIKeyIEYHMMUZOQIHPX-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine with MolForge

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Related Compounds

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonylhydrazine
CID 105265747
1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine
CID 104989051
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
CID 65425541
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
N-methyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423768
N-methyl-1-(2-methylcyclopropyl)undecan-1-amine
CID 65419745
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 112681257
3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 165145974
(1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 104932359
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 112680991
1-(2-adamantyl)-N-methylhexan-1-amine
CID 115837552

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine?
The IUPAC name of N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine (CID 115998056) is N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine.
What is the SMILES notation for N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine?
The canonical SMILES for N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine is CCCCCCCCC(NC)C1CC2CCC(C1)N2C.
What is the InChIKey of N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine?
The InChIKey is IEYHMMUZOQIHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-5-6-7-8-9-10-18(19-2)15-13-16-11-12-17(14-15)20(16)3/h15-19H,4-14H2,1-3H3.
What are the key properties of N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine?
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine is sourced from PubChem (CID 115998056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).