1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine

C10H20N2 — CID 131187184

IUPAC1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine
SMILESCC1(C)CC2CC(C)(CN2N)C1
InChIInChI=1S/C10H20N2/c1-9(2)4-8-5-10(3,6-9)7-12(8)11/h8H,4-7,11H2,1-3H3
InChIKeyXBBSNGCIEJMDLW-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.76
Rot. Bonds

About 1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine

1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine (PubChem CID 131187184) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine
PubChem CID131187184
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine
SMILESCC1(C)CC2CC(C)(CN2N)C1
InChIInChI=1S/C10H20N2/c1-9(2)4-8-5-10(3,6-9)7-12(8)11/h8H,4-7,11H2,1-3H3
InChIKeyXBBSNGCIEJMDLW-UHFFFAOYSA-N
XLogP1.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

(1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane
CID 59895923
(1S,5S)-1,3,3-trimethyl-6-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-6-azabicyclo[3.2.1]octane
CID 98126003
(1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 58959472
(1R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 59922400
1,3,3-trimethyl-6-[[(2R)-oxiran-2-yl]methyl]-6-azabicyclo[3.2.1]octane
CID 130848658
2-amino-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7268032
1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl chloride
CID 54116057
ethane;1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 145255334
3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propanamide
CID 2502625
3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propanenitrile
CID 7859074
6-(chloromethylsulfonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 63664527
3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propanoic acid
CID 50932554

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine?
The IUPAC name of 1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine (CID 131187184) is 1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine.
What is the SMILES notation for 1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine?
The canonical SMILES for 1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine is CC1(C)CC2CC(C)(CN2N)C1.
What is the InChIKey of 1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine?
The InChIKey is XBBSNGCIEJMDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)4-8-5-10(3,6-9)7-12(8)11/h8H,4-7,11H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine?
1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine has a molecular weight of 168.28 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-amine is sourced from PubChem (CID 131187184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).