3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane

C27H56N4 — CID 177161267

IUPAC3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane
SMILESCC.CC(C)N1CCC2(CC1)CCN(C(C)C)CC2.CC(C)N1CCC2(CCN2)CC1
InChIInChI=1S/C15H30N2.C10H20N2.C2H6/c1-13(2)16-9-5-15(6-10-16)7-11-17(12-8-15)14(3)4;1-9(2)12-7-4-10(5-8-12)3-6-11-10;1-2/h13-14H,5-12H2,1-4H3;9,11H,3-8H2,1-2H3;1-2H3
InChIKeyFTHNAKVMALRLHA-UHFFFAOYSA-N
MW436.77 g/mol
LogP5.23
Rot. Bonds3

About 3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane

3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane (PubChem CID 177161267) has the molecular formula C27H56N4 and a molecular weight of 436.77 g/mol. Its IUPAC name is 3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane
PubChem CID177161267
Molecular FormulaC27H56N4
Molecular Weight436.77 g/mol
Exact Mass436.45
IUPAC Name3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane
SMILESCC.CC(C)N1CCC2(CC1)CCN(C(C)C)CC2.CC(C)N1CCC2(CCN2)CC1
InChIInChI=1S/C15H30N2.C10H20N2.C2H6/c1-13(2)16-9-5-15(6-10-16)7-11-17(12-8-15)14(3)4;1-9(2)12-7-4-10(5-8-12)3-6-11-10;1-2/h13-14H,5-12H2,1-4H3;9,11H,3-8H2,1-2H3;1-2H3
InChIKeyFTHNAKVMALRLHA-UHFFFAOYSA-N
XLogP5.23
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane?
The IUPAC name of 3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane (CID 177161267) is 3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane?
The canonical SMILES for 3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane is CC.CC(C)N1CCC2(CC1)CCN(C(C)C)CC2.CC(C)N1CCC2(CCN2)CC1.
What is the InChIKey of 3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane?
The InChIKey is FTHNAKVMALRLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C10H20N2.C2H6/c1-13(2)16-9-5-15(6-10-16)7-11-17(12-8-15)14(3)4;1-9(2)12-7-4-10(5-8-12)3-6-11-10;1-2/h13-14H,5-12H2,1-4H3;9,11H,3-8H2,1-2H3;1-2H3.
What are the key properties of 3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane?
3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane has a molecular weight of 436.77 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 177161267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).