4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane

C17H32N2 — CID 79351240

IUPAC4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)C(CN2CCNC3(CCCCC3)C2)C1(C)C
InChIInChI=1S/C17H32N2/c1-15(2)14(16(15,3)4)12-19-11-10-18-17(13-19)8-6-5-7-9-17/h14,18H,5-13H2,1-4H3
InChIKeyAAQKXTJZOLHOQY-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.28
Rot. Bonds2

About 4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane

4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 79351240) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID79351240
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)C(CN2CCNC3(CCCCC3)C2)C1(C)C
InChIInChI=1S/C17H32N2/c1-15(2)14(16(15,3)4)12-19-11-10-18-17(13-19)8-6-5-7-9-17/h14,18H,5-13H2,1-4H3
InChIKeyAAQKXTJZOLHOQY-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
1-[(4-Methylpiperazin-1-yl)methyl]-6-azaspiro[2.5]octane
CID 64069618
3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pentan-1-amine
CID 171748479
(3S)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine
CID 176841621
(3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine
CID 176842019
3-Cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64860986
3-Cyclopropyl-3-methyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane
CID 64861563
3-Cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 64862137
3-Cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane
CID 64875914
3-Cyclopropyl-3-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 64876489
3-Cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64878411
3-Cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 80696741

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane (CID 79351240) is 4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane is CC1(C)C(CN2CCNC3(CCCCC3)C2)C1(C)C.
What is the InChIKey of 4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is AAQKXTJZOLHOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-15(2)14(16(15,3)4)12-19-11-10-18-17(13-19)8-6-5-7-9-17/h14,18H,5-13H2,1-4H3.
What are the key properties of 4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane?
4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 264.46 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 79351240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).