7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane

C21H39N3 — CID 155702599

IUPAC7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCCN1CCC2(CC1)CN(CC1CC3(CCN(C(C)C)CC3)C1)C2
InChIInChI=1S/C21H39N3/c1-4-22-9-5-21(6-10-22)16-23(17-21)15-19-13-20(14-19)7-11-24(12-8-20)18(2)3/h18-19H,4-17H2,1-3H3
InChIKeyMBXGTKDHYUCPAS-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.30
Rot. Bonds4

About 7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane

7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 155702599) has the molecular formula C21H39N3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID155702599
Molecular FormulaC21H39N3
Molecular Weight333.56 g/mol
Exact Mass333.31
IUPAC Name7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCCN1CCC2(CC1)CN(CC1CC3(CCN(C(C)C)CC3)C1)C2
InChIInChI=1S/C21H39N3/c1-4-22-9-5-21(6-10-22)16-23(17-21)15-19-13-20(14-19)7-11-24(12-8-20)18(2)3/h18-19H,4-17H2,1-3H3
InChIKeyMBXGTKDHYUCPAS-UHFFFAOYSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane with MolForge

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Related Compounds

3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702528
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119
ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702527
2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 176760588
2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170669704
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174168118
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane (CID 155702599) is 7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane is CCN1CCC2(CC1)CN(CC1CC3(CCN(C(C)C)CC3)C1)C2.
What is the InChIKey of 7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is MBXGTKDHYUCPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3/c1-4-22-9-5-21(6-10-22)16-23(17-21)15-19-13-20(14-19)7-11-24(12-8-20)18(2)3/h18-19H,4-17H2,1-3H3.
What are the key properties of 7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane?
7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 333.56 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 155702599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).