(1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane

C22H40N2 — CID 146374943

IUPAC(1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane
SMILESCC(C)C1C[C@@H]2C(CC(C)[C@@H]3CC4C[C@H]4N3C(C)C)[C@@H]2N1C(C)C
InChIInChI=1S/C22H40N2/c1-12(2)19-11-18-17(22(18)24(19)14(5)6)8-15(7)20-9-16-10-21(16)23(20)13(3)4/h12-22H,8-11H2,1-7H3/t15?,16?,17?,18-,19?,20+,21-,22+/m1/s1
InChIKeyBIHPKCHBDOUPHJ-MAZLVCNDSA-N
MW332.58 g/mol
LogP4.64
Rot. Bonds6

About (1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane

(1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane (PubChem CID 146374943) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is (1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane
PubChem CID146374943
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name(1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane
SMILESCC(C)C1C[C@@H]2C(CC(C)[C@@H]3CC4C[C@H]4N3C(C)C)[C@@H]2N1C(C)C
InChIInChI=1S/C22H40N2/c1-12(2)19-11-18-17(22(18)24(19)14(5)6)8-15(7)20-9-16-10-21(16)23(20)13(3)4/h12-22H,8-11H2,1-7H3/t15?,16?,17?,18-,19?,20+,21-,22+/m1/s1
InChIKeyBIHPKCHBDOUPHJ-MAZLVCNDSA-N
XLogP4.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane (CID 146374943) is (1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane is CC(C)C1C[C@@H]2C(CC(C)[C@@H]3CC4C[C@H]4N3C(C)C)[C@@H]2N1C(C)C.
What is the InChIKey of (1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane?
The InChIKey is BIHPKCHBDOUPHJ-MAZLVCNDSA-N. The full InChI is InChI=1S/C22H40N2/c1-12(2)19-11-18-17(22(18)24(19)14(5)6)8-15(7)20-9-16-10-21(16)23(20)13(3)4/h12-22H,8-11H2,1-7H3/t15?,16?,17?,18-,19?,20+,21-,22+/m1/s1.
What are the key properties of (1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane?
(1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane has a molecular weight of 332.58 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 146374943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).