[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid

C14H26N2O2 — CID 162367822

IUPAC[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C12CCC(CN)(CC1)CC2
InChIInChI=1S/C14H26N2O2/c1-12(2,3)16(11(17)18)14-7-4-13(10-15,5-8-14)6-9-14/h4-10,15H2,1-3H3,(H,17,18)
InChIKeyGFLAOQPRRAFVRY-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.82
Rot. Bonds2

About [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid

[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid (PubChem CID 162367822) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
PubChem CID162367822
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C12CCC(CN)(CC1)CC2
InChIInChI=1S/C14H26N2O2/c1-12(2,3)16(11(17)18)14-7-4-13(10-15,5-8-14)6-9-14/h4-10,15H2,1-3H3,(H,17,18)
InChIKeyGFLAOQPRRAFVRY-UHFFFAOYSA-N
XLogP2.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid?
The IUPAC name of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid (CID 162367822) is [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid.
What is the SMILES notation for [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid?
The canonical SMILES for [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)C12CCC(CN)(CC1)CC2.
What is the InChIKey of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid?
The InChIKey is GFLAOQPRRAFVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2,3)16(11(17)18)14-7-4-13(10-15,5-8-14)6-9-14/h4-10,15H2,1-3H3,(H,17,18).
What are the key properties of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid?
[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid has a molecular weight of 254.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid is sourced from PubChem (CID 162367822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).