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

C13H26N2 — CID 153298724

IUPAC1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine
SMILESC[C@@H]1CC2(CN(C)C)CC2N1C(C)(C)C
InChIInChI=1S/C13H26N2/c1-10-7-13(9-14(5)6)8-11(13)15(10)12(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11?,13?/m1/s1
InChIKeyBDWZMBLGSSRSKW-XSRFYTQQSA-N
MW210.36 g/mol
LogP2.20
Rot. Bonds2

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

1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine (PubChem CID 153298724) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine
PubChem CID153298724
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine
SMILESC[C@@H]1CC2(CN(C)C)CC2N1C(C)(C)C
InChIInChI=1S/C13H26N2/c1-10-7-13(9-14(5)6)8-11(13)15(10)12(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11?,13?/m1/s1
InChIKeyBDWZMBLGSSRSKW-XSRFYTQQSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine (CID 153298724) is 1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine is C[C@@H]1CC2(CN(C)C)CC2N1C(C)(C)C.
What is the InChIKey of 1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine?
The InChIKey is BDWZMBLGSSRSKW-XSRFYTQQSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-7-13(9-14(5)6)8-11(13)15(10)12(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11?,13?/m1/s1.
What are the key properties of 1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine?
1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine has a molecular weight of 210.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 153298724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).