N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine

C17H30N2 — CID 105364631

IUPACN-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC12CCC(C1)C(C)(C)C2NC1CCN2CCC1C2
InChIInChI=1S/C17H30N2/c1-16(2)13-4-7-17(3,10-13)15(16)18-14-6-9-19-8-5-12(14)11-19/h12-15,18H,4-11H2,1-3H3
InChIKeyHEVGXKCVHOXJPV-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.88
Rot. Bonds2

About N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine

N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364631) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364631
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC12CCC(C1)C(C)(C)C2NC1CCN2CCC1C2
InChIInChI=1S/C17H30N2/c1-16(2)13-4-7-17(3,10-13)15(16)18-14-6-9-19-8-5-12(14)11-19/h12-15,18H,4-11H2,1-3H3
InChIKeyHEVGXKCVHOXJPV-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364631) is N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine is CC12CCC(C1)C(C)(C)C2NC1CCN2CCC1C2.
What is the InChIKey of N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is HEVGXKCVHOXJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-16(2)13-4-7-17(3,10-13)15(16)18-14-6-9-19-8-5-12(14)11-19/h12-15,18H,4-11H2,1-3H3.
What are the key properties of N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 262.44 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).