[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

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

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Related Compounds

(4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid
CID 155059785
2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride
CID 134128339
(4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid
CID 66642887
tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid
CID 67273047
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid
CID 170902541
[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 174232006
tert-butyl-(3-hydroxy-5,7-dimethyl-1-adamantyl)carbamic acid
CID 57465640
[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
CID 155092848
tert-butyl-[1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid
CID 90218953
4-(aminomethyl)bicyclo[2.2.2]octan-1-ol;tert-butyl N-[(4-fluoro-1-bicyclo[2.2.2]octanyl)methyl]carbamate;tert-butyl N-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)methyl]carbamate
CID 157292217
tert-butyl-[(1S,2S)-1-ethenyl-2-methylcyclopropyl]carbamic acid
CID 45091892
4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride
CID 158402337

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).