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

C15H30N2 — CID 176632119

IUPACN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)C[C@@]12C[C@@H](C)N(C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C15H30N2/c1-7-16(8-2)11-15-9-12(3)17(13(15)10-15)14(4,5)6/h12-13H,7-11H2,1-6H3/t12-,13-,15+/m1/s1
InChIKeyIUTQEZWULMVXAS-NFAWXSAZSA-N
MW238.42 g/mol
LogP2.98
Rot. Bonds4

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

N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine (PubChem CID 176632119) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine
PubChem CID176632119
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)C[C@@]12C[C@@H](C)N(C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C15H30N2/c1-7-16(8-2)11-15-9-12(3)17(13(15)10-15)14(4,5)6/h12-13H,7-11H2,1-6H3/t12-,13-,15+/m1/s1
InChIKeyIUTQEZWULMVXAS-NFAWXSAZSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine (CID 176632119) is N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine is CCN(CC)C[C@@]12C[C@@H](C)N(C(C)(C)C)[C@@H]1C2.
What is the InChIKey of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine?
The InChIKey is IUTQEZWULMVXAS-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H30N2/c1-7-16(8-2)11-15-9-12(3)17(13(15)10-15)14(4,5)6/h12-13H,7-11H2,1-6H3/t12-,13-,15+/m1/s1.
What are the key properties of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine?
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine has a molecular weight of 238.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 176632119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).