2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane

C16H29N3 — CID 155218367

IUPAC2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCN1CC2C(C1)C2CN1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C16H29N3/c1-17-6-3-16(12-17)4-7-19(8-5-16)11-15-13-9-18(2)10-14(13)15/h13-15H,3-12H2,1-2H3
InChIKeyNDXJDNHLVGMZSL-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.21
Rot. Bonds2

About 2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane

2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 155218367) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID155218367
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCN1CC2C(C1)C2CN1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C16H29N3/c1-17-6-3-16(12-17)4-7-19(8-5-16)11-15-13-9-18(2)10-14(13)15/h13-15H,3-12H2,1-2H3
InChIKeyNDXJDNHLVGMZSL-UHFFFAOYSA-N
XLogP1.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 155218367) is 2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane is CN1CC2C(C1)C2CN1CCC2(CCN(C)C2)CC1.
What is the InChIKey of 2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is NDXJDNHLVGMZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-17-6-3-16(12-17)4-7-19(8-5-16)11-15-13-9-18(2)10-14(13)15/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 263.43 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 155218367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).