(4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene

C10H18N2 — CID 45096322

IUPAC(4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene
SMILESCC(C)[C@@H]1CC[C@@H](C)CC12N=N2
InChIInChI=1S/C10H18N2/c1-7(2)9-5-4-8(3)6-10(9)11-12-10/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyXDMYVHIXZVHGEW-BDAKNGLRSA-N
MW166.27 g/mol
LogP3.24
Rot. Bonds1

About (4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene

(4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene (PubChem CID 45096322) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name(4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene
PubChem CID45096322
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene
SMILESCC(C)[C@@H]1CC[C@@H](C)CC12N=N2
InChIInChI=1S/C10H18N2/c1-7(2)9-5-4-8(3)6-10(9)11-12-10/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyXDMYVHIXZVHGEW-BDAKNGLRSA-N
XLogP3.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane
CID 15728160
ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane
CID 171106643
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
(1R,2S,5R)-1-chloro-5-methyl-1-nitroso-2-propan-2-ylcyclohexane
CID 134994121
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025
(1S,2S,5R)-1-bromo-5-methyl-1-nitroso-2-propan-2-ylcyclohexane
CID 134886274
(8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane
CID 168973924
(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
(1R,2S,5R)-1-chloro-5-methyl-1-nitro-2-propan-2-ylcyclohexane
CID 11063945
1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 72951939
(1S,2S,5R)-1-[6-[(1S,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]-2-pyridinyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101183743
1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 55185816

Frequently Asked Questions

What is the IUPAC name of (4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
The IUPAC name of (4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene (CID 45096322) is (4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene.
What is the SMILES notation for (4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
The canonical SMILES for (4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene is CC(C)[C@@H]1CC[C@@H](C)CC12N=N2.
What is the InChIKey of (4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
The InChIKey is XDMYVHIXZVHGEW-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)9-5-4-8(3)6-10(9)11-12-10/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
(4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene has a molecular weight of 166.27 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene is sourced from PubChem (CID 45096322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).