N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C13H24N2 — CID 43298235

IUPACN-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCC1CCC1)C2
InChIInChI=1S/C13H24N2/c1-15-12-5-6-13(15)8-11(7-12)14-9-10-3-2-4-10/h10-14H,2-9H2,1H3
InChIKeySZBPMKDWNNTZAS-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.00
Rot. Bonds3

About N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43298235) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43298235
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCC1CCC1)C2
InChIInChI=1S/C13H24N2/c1-15-12-5-6-13(15)8-11(7-12)14-9-10-3-2-4-10/h10-14H,2-9H2,1H3
InChIKeySZBPMKDWNNTZAS-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43298235) is N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NCC1CCC1)C2.
What is the InChIKey of N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SZBPMKDWNNTZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-15-12-5-6-13(15)8-11(7-12)14-9-10-3-2-4-10/h10-14H,2-9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 208.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43298235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).