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

C19H35N3 — CID 155184441

IUPAC2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCCN1CCC2(CC1)CC(CN1CC3(CCN(C)CC3)C1)C2
InChIInChI=1S/C19H35N3/c1-3-21-10-6-18(7-11-21)12-17(13-18)14-22-15-19(16-22)4-8-20(2)9-5-19/h17H,3-16H2,1-2H3
InChIKeyNODDHWWLGQZRAG-UHFFFAOYSA-N
MW305.51 g/mol
LogP2.53
Rot. Bonds3

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

2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 155184441) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID155184441
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCCN1CCC2(CC1)CC(CN1CC3(CCN(C)CC3)C1)C2
InChIInChI=1S/C19H35N3/c1-3-21-10-6-18(7-11-21)12-17(13-18)14-22-15-19(16-22)4-8-20(2)9-5-19/h17H,3-16H2,1-2H3
InChIKeyNODDHWWLGQZRAG-UHFFFAOYSA-N
XLogP2.53
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane (CID 155184441) is 2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane is CCN1CCC2(CC1)CC(CN1CC3(CCN(C)CC3)C1)C2.
What is the InChIKey of 2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is NODDHWWLGQZRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-3-21-10-6-18(7-11-21)12-17(13-18)14-22-15-19(16-22)4-8-20(2)9-5-19/h17H,3-16H2,1-2H3.
What are the key properties of 2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane?
2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 305.51 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 155184441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).