7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene

C18H34N2 — CID 176984351

IUPAC7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene
SMILESC=C.CC(C)N1CC2(CCN(C3CCCCC3)CC2)C1
InChIInChI=1S/C16H30N2.C2H4/c1-14(2)18-12-16(13-18)8-10-17(11-9-16)15-6-4-3-5-7-15;1-2/h14-15H,3-13H2,1-2H3;1-2H2
InChIKeySZUCGTNIFSPTIA-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.93
Rot. Bonds2

About 7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene

7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene (PubChem CID 176984351) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene.

Molecular Properties

Compound Name7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene
PubChem CID176984351
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene
SMILESC=C.CC(C)N1CC2(CCN(C3CCCCC3)CC2)C1
InChIInChI=1S/C16H30N2.C2H4/c1-14(2)18-12-16(13-18)8-10-17(11-9-16)15-6-4-3-5-7-15;1-2/h14-15H,3-13H2,1-2H3;1-2H2
InChIKeySZUCGTNIFSPTIA-UHFFFAOYSA-N
XLogP3.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene?
The IUPAC name of 7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene (CID 176984351) is 7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene.
What is the SMILES notation for 7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene?
The canonical SMILES for 7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene is C=C.CC(C)N1CC2(CCN(C3CCCCC3)CC2)C1.
What is the InChIKey of 7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene?
The InChIKey is SZUCGTNIFSPTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2.C2H4/c1-14(2)18-12-16(13-18)8-10-17(11-9-16)15-6-4-3-5-7-15;1-2/h14-15H,3-13H2,1-2H3;1-2H2.
What are the key properties of 7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene?
7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene has a molecular weight of 278.48 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene is sourced from PubChem (CID 176984351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).