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

C10H18N2O2 — CID 174232006

IUPAC[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid
SMILESNCC12CCC(NC(=O)O)(CC1)CC2
InChIInChI=1S/C10H18N2O2/c11-7-9-1-4-10(5-2-9,6-3-9)12-8(13)14/h12H,1-7,11H2,(H,13,14)
InChIKeyQQOMNIJTOQYZLE-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.31
Rot. Bonds2

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

[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid (PubChem CID 174232006) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid.

Molecular Properties

Compound Name[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid
PubChem CID174232006
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid
SMILESNCC12CCC(NC(=O)O)(CC1)CC2
InChIInChI=1S/C10H18N2O2/c11-7-9-1-4-10(5-2-9,6-3-9)12-8(13)14/h12H,1-7,11H2,(H,13,14)
InChIKeyQQOMNIJTOQYZLE-UHFFFAOYSA-N
XLogP1.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid
CID 67549106
benzyl N-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamate;hydrochloride
CID 155387433
2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride
CID 134128339
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid
CID 170902541
[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
CID 162367822
4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride
CID 158402337
[1-(aminomethyl)cyclopropyl]methylcarbamic acid
CID 89477777
(1-formyl-2-oxabicyclo[2.2.2]octan-4-yl)carbamic acid
CID 134229689
bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride
CID 134128348
[1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid
CID 89156337
[(1R,2R)-1,2-diacetamido-2-(carboxyamino)cyclohexyl]carbamic acid
CID 87424561
4-(prop-2-enoxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylic acid
CID 135391083

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid?
The IUPAC name of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid (CID 174232006) is [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid.
What is the SMILES notation for [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid?
The canonical SMILES for [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid is NCC12CCC(NC(=O)O)(CC1)CC2.
What is the InChIKey of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid?
The InChIKey is QQOMNIJTOQYZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-7-9-1-4-10(5-2-9,6-3-9)12-8(13)14/h12H,1-7,11H2,(H,13,14).
What are the key properties of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid?
[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid has a molecular weight of 198.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 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]carbamic acid is sourced from PubChem (CID 174232006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).