7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine

C23H45N3 — CID 157049710

IUPAC7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine
SMILESCN1C2CCC1CC2.CN1CC2CCC1CC2.CNCC1CCC(C)C1
InChIInChI=1S/C8H15N.C8H17N.C7H13N/c1-9-6-7-2-4-8(9)5-3-7;1-7-3-4-8(5-7)6-9-2;1-8-6-2-3-7(8)5-4-6/h7-8H,2-6H2,1H3;7-9H,3-6H2,1-2H3;6-7H,2-5H2,1H3
InChIKeyAABAKTOJQNEEFR-UHFFFAOYSA-N
MW363.63 g/mol
LogP4.38
Rot. Bonds2

About 7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine

7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine (PubChem CID 157049710) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine
PubChem CID157049710
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine
SMILESCN1C2CCC1CC2.CN1CC2CCC1CC2.CNCC1CCC(C)C1
InChIInChI=1S/C8H15N.C8H17N.C7H13N/c1-9-6-7-2-4-8(9)5-3-7;1-7-3-4-8(5-7)6-9-2;1-8-6-2-3-7(8)5-4-6/h7-8H,2-6H2,1H3;7-9H,3-6H2,1-2H3;6-7H,2-5H2,1H3
InChIKeyAABAKTOJQNEEFR-UHFFFAOYSA-N
XLogP4.38
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine with MolForge

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Related Compounds

Ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 143143747
Bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157562480
1,2-Dimethylpyrrolidine;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine
CID 157774272
2-Azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;ethane
CID 159110091
1,2-Dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine
CID 161212212

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of 7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine (CID 157049710) is 7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for 7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for 7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine is CN1C2CCC1CC2.CN1CC2CCC1CC2.CNCC1CCC(C)C1.
What is the InChIKey of 7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine?
The InChIKey is AABAKTOJQNEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C8H17N.C7H13N/c1-9-6-7-2-4-8(9)5-3-7;1-7-3-4-8(5-7)6-9-2;1-8-6-2-3-7(8)5-4-6/h7-8H,2-6H2,1H3;7-9H,3-6H2,1-2H3;6-7H,2-5H2,1H3.
What are the key properties of 7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine?
7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine has a molecular weight of 363.63 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 157049710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).