3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium

C17H31N2Y- — CID 176984970

IUPAC3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium
SMILESCC(C)C1CCC2(CC1)CCN(CC1C[N-]C1)CC2.[Y]
InChIInChI=1S/C17H31N2.Y/c1-14(2)16-3-5-17(6-4-16)7-9-19(10-8-17)13-15-11-18-12-15;/h14-16H,3-13H2,1-2H3;/q-1;
InChIKeyWONOXZJFWLXZPC-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.92
Rot. Bonds3

About 3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium

3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium (PubChem CID 176984970) has the molecular formula C17H31N2Y- and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium.

Molecular Properties

Compound Name3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium
PubChem CID176984970
Molecular FormulaC17H31N2Y-
Molecular Weight352.36 g/mol
Exact Mass352.16
IUPAC Name3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium
SMILESCC(C)C1CCC2(CC1)CCN(CC1C[N-]C1)CC2.[Y]
InChIInChI=1S/C17H31N2.Y/c1-14(2)16-3-5-17(6-4-16)7-9-19(10-8-17)13-15-11-18-12-15;/h14-16H,3-13H2,1-2H3;/q-1;
InChIKeyWONOXZJFWLXZPC-UHFFFAOYSA-N
XLogP3.92
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 176984971
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
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
7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 176639274
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
CID 155702568
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane
CID 170137918
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63159689
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 176985677
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819

Frequently Asked Questions

What is the IUPAC name of 3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium?
The IUPAC name of 3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium (CID 176984970) is 3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium.
What is the SMILES notation for 3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium?
The canonical SMILES for 3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium is CC(C)C1CCC2(CC1)CCN(CC1C[N-]C1)CC2.[Y].
What is the InChIKey of 3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium?
The InChIKey is WONOXZJFWLXZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N2.Y/c1-14(2)16-3-5-17(6-4-16)7-9-19(10-8-17)13-15-11-18-12-15;/h14-16H,3-13H2,1-2H3;/q-1;.
What are the key properties of 3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium?
3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium has a molecular weight of 352.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium is sourced from PubChem (CID 176984970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).