4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine

C12H24N2 — CID 171762439

IUPAC4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine
SMILESCC(C)(C)NC12CCC(N)(CC1)CC2
InChIInChI=1S/C12H24N2/c1-10(2,3)14-12-7-4-11(13,5-8-12)6-9-12/h14H,4-9,13H2,1-3H3
InChIKeyRJNSKWJVEASIKI-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.18
Rot. Bonds1

About 4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine

4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine (PubChem CID 171762439) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine
PubChem CID171762439
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine
SMILESCC(C)(C)NC12CCC(N)(CC1)CC2
InChIInChI=1S/C12H24N2/c1-10(2,3)14-12-7-4-11(13,5-8-12)6-9-12/h14H,4-9,13H2,1-3H3
InChIKeyRJNSKWJVEASIKI-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-iodobicyclo[2.2.2]octane-1,4-diamine
CID 166985169
1-(aminomethyl)-N-tert-butylcyclopentan-1-amine
CID 82503235
1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane
CID 59559738
tert-butyl N-(4-amino-1-bicyclo[2.2.1]heptanyl)carbamate;hydrochloride
CID 134819026
N-tert-butyl-3,5-dimethyladamantan-1-amine
CID 59574547
N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine
CID 59913364
1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-tert-butylurea
CID 165478082
3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol
CID 139319943
4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
CID 86775403
methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate;hydrochloride
CID 67216420
4-(diethylaminomethyl)bicyclo[2.2.2]octan-1-amine
CID 139592836
N-tert-butyl-1-ethynylcyclopentan-1-amine
CID 130011487

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine?
The IUPAC name of 4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine (CID 171762439) is 4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine.
What is the SMILES notation for 4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine?
The canonical SMILES for 4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine is CC(C)(C)NC12CCC(N)(CC1)CC2.
What is the InChIKey of 4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine?
The InChIKey is RJNSKWJVEASIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2,3)14-12-7-4-11(13,5-8-12)6-9-12/h14H,4-9,13H2,1-3H3.
What are the key properties of 4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine?
4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine is sourced from PubChem (CID 171762439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).