1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine

C12H24N2 — CID 156566550

IUPAC1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine
SMILESCNC[C@H]1[C@@H]2CN(C(C)(C)C)[C@H](C)[C@H]12
InChIInChI=1S/C12H24N2/c1-8-11-9(6-13-5)10(11)7-14(8)12(2,3)4/h8-11,13H,6-7H2,1-5H3/t8-,9+,10+,11-/m1/s1
InChIKeyCRZPNDDWIOKWHW-VPOLOUISSA-N
MW196.34 g/mol
LogP1.57
Rot. Bonds2

About 1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine

1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine (PubChem CID 156566550) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine
PubChem CID156566550
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine
SMILESCNC[C@H]1[C@@H]2CN(C(C)(C)C)[C@H](C)[C@H]12
InChIInChI=1S/C12H24N2/c1-8-11-9(6-13-5)10(11)7-14(8)12(2,3)4/h8-11,13H,6-7H2,1-5H3/t8-,9+,10+,11-/m1/s1
InChIKeyCRZPNDDWIOKWHW-VPOLOUISSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine with MolForge

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Related Compounds

1-tert-butyl-2-methylaziridine
CID 15557486
N-methyl-1-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine
CID 58639098
1-tert-butyl-2,3,5-trimethylpiperidine
CID 175525228
(3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol
CID 171159721
1-[(7R)-8-bicyclo[5.1.0]octanyl]-N-methylmethanamine
CID 137483176
1-tert-butyl-2,4-dimethylpyrrolidine
CID 72522507
N-methyl-1-(1-methylaziridin-2-yl)methanamine
CID 117010139
[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol
CID 160603058
(2R,4S)-1-tert-butyl-4-chloro-2-methylpyrrolidine
CID 153298890
N-methyl-1-(5-tricyclo[4.2.0.02,4]octanyl)methanamine
CID 166938261
N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 7302881
(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
CID 168821031

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine (CID 156566550) is 1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine is CNC[C@H]1[C@@H]2CN(C(C)(C)C)[C@H](C)[C@H]12.
What is the InChIKey of 1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine?
The InChIKey is CRZPNDDWIOKWHW-VPOLOUISSA-N. The full InChI is InChI=1S/C12H24N2/c1-8-11-9(6-13-5)10(11)7-14(8)12(2,3)4/h8-11,13H,6-7H2,1-5H3/t8-,9+,10+,11-/m1/s1.
What are the key properties of 1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine?
1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine has a molecular weight of 196.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,5S,6S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-methylmethanamine is sourced from PubChem (CID 156566550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).