(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane

C17H32N2 — CID 170080212

IUPAC(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane
SMILESC[C@@H]1C[C@@]2(CC3CCN(C)CC3)CC2N1C(C)(C)C
InChIInChI=1S/C17H32N2/c1-13-10-17(11-14-6-8-18(5)9-7-14)12-15(17)19(13)16(2,3)4/h13-15H,6-12H2,1-5H3/t13-,15?,17-/m1/s1
InChIKeySTSYHSNSKDWGDM-GWHNWCKOSA-N
MW264.46 g/mol
LogP3.37
Rot. Bonds2

About (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane

(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane (PubChem CID 170080212) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane
PubChem CID170080212
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane
SMILESC[C@@H]1C[C@@]2(CC3CCN(C)CC3)CC2N1C(C)(C)C
InChIInChI=1S/C17H32N2/c1-13-10-17(11-14-6-8-18(5)9-7-14)12-15(17)19(13)16(2,3)4/h13-15H,6-12H2,1-5H3/t13-,15?,17-/m1/s1
InChIKeySTSYHSNSKDWGDM-GWHNWCKOSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane with MolForge

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Launch Full Analysis

Related Compounds

(3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
CID 176632015
1-[4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]piperazin-1-yl]ethanone
CID 176632061
2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane
CID 176632123
(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane
CID 149109413
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine
CID 176632075
(1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane
CID 176632051
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 153298312
1-[(1-methylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 115074013
2-methyl-1-(1-methylpiperidin-4-yl)propan-2-amine
CID 82598280
1-methyl-4-(2-methylbutan-2-yloxymethyl)piperidine
CID 130279511
4-[(1-tert-butylpyrrolidin-3-yl)methyl]-1-methylpiperidine
CID 159520791
4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine
CID 160991288

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane (CID 170080212) is (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane is C[C@@H]1C[C@@]2(CC3CCN(C)CC3)CC2N1C(C)(C)C.
What is the InChIKey of (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane?
The InChIKey is STSYHSNSKDWGDM-GWHNWCKOSA-N. The full InChI is InChI=1S/C17H32N2/c1-13-10-17(11-14-6-8-18(5)9-7-14)12-15(17)19(13)16(2,3)4/h13-15H,6-12H2,1-5H3/t13-,15?,17-/m1/s1.
What are the key properties of (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane?
(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane has a molecular weight of 264.46 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 170080212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).