ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane

C16H30N2 — CID 156860387

IUPACethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CCC#CCN1CCC2(CC1)CN(CC)C2
InChIInChI=1S/C14H24N2.C2H6/c1-3-5-6-9-16-10-7-14(8-11-16)12-15(4-2)13-14;1-2/h3-4,7-13H2,1-2H3;1-2H3
InChIKeyUGOPRNMLUXUWQL-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.84
Rot. Bonds2

About ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane

ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane (PubChem CID 156860387) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane
PubChem CID156860387
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Nameethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CCC#CCN1CCC2(CC1)CN(CC)C2
InChIInChI=1S/C14H24N2.C2H6/c1-3-5-6-9-16-10-7-14(8-11-16)12-15(4-2)13-14;1-2/h3-4,7-13H2,1-2H3;1-2H3
InChIKeyUGOPRNMLUXUWQL-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane (CID 156860387) is ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane is CC.CCC#CCN1CCC2(CC1)CN(CC)C2.
What is the InChIKey of ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is UGOPRNMLUXUWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.C2H6/c1-3-5-6-9-16-10-7-14(8-11-16)12-15(4-2)13-14;1-2/h3-4,7-13H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane?
ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 250.43 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 156860387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).