2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane

C27H56N4 — CID 162375660

IUPAC2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane
SMILESCC.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2
InChIInChI=1S/C13H26N2.C12H24N2.C2H6/c1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-2/h11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;1-2H3
InChIKeyDTLOTJGKLBMQJZ-UHFFFAOYSA-N
MW436.77 g/mol
LogP5.04
Rot. Bonds4

About 2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane

2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane (PubChem CID 162375660) has the molecular formula C27H56N4 and a molecular weight of 436.77 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane
PubChem CID162375660
Molecular FormulaC27H56N4
Molecular Weight436.77 g/mol
Exact Mass436.45
IUPAC Name2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane
SMILESCC.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2
InChIInChI=1S/C13H26N2.C12H24N2.C2H6/c1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-2/h11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;1-2H3
InChIKeyDTLOTJGKLBMQJZ-UHFFFAOYSA-N
XLogP5.04
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane with MolForge

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Related Compounds

2-Propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)pentan-2-yl]-2,7-diazaspiro[3.4]octane
CID 130204193
7-Methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane
CID 130204205
6-Methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 134505377
7-Propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane
CID 135219663
2-[(1,4-Dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane
CID 142327136
6-[(1-Tert-butylpiperidin-4-yl)methyl]-2-ethyl-3-methyl-2,6-diazaspiro[3.3]heptane
CID 146547663
(3S)-2-tert-butyl-6-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane
CID 146547664
2-Tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 146547666
2-[(1-Tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 146547671
2-Tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane
CID 146547675
7-[(1-Tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 147462144
2-Tert-butyl-6-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane
CID 153485933

Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane?
The IUPAC name of 2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane (CID 162375660) is 2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane.
What is the SMILES notation for 2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane?
The canonical SMILES for 2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane is CC.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.
What is the InChIKey of 2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane?
The InChIKey is DTLOTJGKLBMQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C12H24N2.C2H6/c1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-2/h11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;1-2H3.
What are the key properties of 2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane?
2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane has a molecular weight of 436.77 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane is sourced from PubChem (CID 162375660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).