4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine

C16H25N3 — CID 105365124

IUPAC4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCc1ccc(N(C)C2(CN)CCN3CCC2C3)cc1
InChIInChI=1S/C16H25N3/c1-13-3-5-15(6-4-13)18(2)16(12-17)8-10-19-9-7-14(16)11-19/h3-6,14H,7-12,17H2,1-2H3
InChIKeyAFSBUPOJWSTKBF-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.85
Rot. Bonds3

About 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine

4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105365124) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105365124
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCc1ccc(N(C)C2(CN)CCN3CCC2C3)cc1
InChIInChI=1S/C16H25N3/c1-13-3-5-15(6-4-13)18(2)16(12-17)8-10-19-9-7-14(16)11-19/h3-6,14H,7-12,17H2,1-2H3
InChIKeyAFSBUPOJWSTKBF-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105365124) is 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine is Cc1ccc(N(C)C2(CN)CCN3CCC2C3)cc1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is AFSBUPOJWSTKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-3-5-15(6-4-13)18(2)16(12-17)8-10-19-9-7-14(16)11-19/h3-6,14H,7-12,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 259.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105365124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).