3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C15H31N3 — CID 43131841

IUPAC3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCCN(CC)C1(CN)CC2CCC(C1)N2C
InChIInChI=1S/C15H31N3/c1-4-6-9-18(5-2)15(12-16)10-13-7-8-14(11-15)17(13)3/h13-14H,4-12,16H2,1-3H3
InChIKeyIUNVGEJJVAJYHI-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.06
Rot. Bonds6

About 3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131841) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131841
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCCN(CC)C1(CN)CC2CCC(C1)N2C
InChIInChI=1S/C15H31N3/c1-4-6-9-18(5-2)15(12-16)10-13-7-8-14(11-15)17(13)3/h13-14H,4-12,16H2,1-3H3
InChIKeyIUNVGEJJVAJYHI-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43131841) is 3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CCCCN(CC)C1(CN)CC2CCC(C1)N2C.
What is the InChIKey of 3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IUNVGEJJVAJYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-6-9-18(5-2)15(12-16)10-13-7-8-14(11-15)17(13)3/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 253.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).