ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane

C17H36NP — CID 177162678

IUPACethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane
SMILESCC.CC.CC1=C(P)C2(CCCN(C)CC2)CC1C
InChIInChI=1S/C13H24NP.2C2H6/c1-10-9-13(12(15)11(10)2)5-4-7-14(3)8-6-13;2*1-2/h10H,4-9,15H2,1-3H3;2*1-2H3
InChIKeyOOLSVSCANBIRPY-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.33
Rot. Bonds

About ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane

ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane (PubChem CID 177162678) has the molecular formula C17H36NP and a molecular weight of 285.46 g/mol. Its IUPAC name is ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane.

Molecular Properties

Compound Nameethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane
PubChem CID177162678
Molecular FormulaC17H36NP
Molecular Weight285.46 g/mol
Exact Mass285.26
IUPAC Nameethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane
SMILESCC.CC.CC1=C(P)C2(CCCN(C)CC2)CC1C
InChIInChI=1S/C13H24NP.2C2H6/c1-10-9-13(12(15)11(10)2)5-4-7-14(3)8-6-13;2*1-2/h10H,4-9,15H2,1-3H3;2*1-2H3
InChIKeyOOLSVSCANBIRPY-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane
CID 177162070
3-ethyl-2,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
CID 177162327
(2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene
CID 176830232
9-methyl-2,9-diazaspiro[4.6]undecane-1,3-dione
CID 65071381
(5S)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one;ethane;methane
CID 161052527
ethane;bis(1-methylpyrrolidine)
CID 153385238
1,4,4,7,7-pentamethylazecane
CID 137411559
(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177161814
ethane;methanol;1-methylazepane
CID 171650925
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
ethane;4-fluoro-1,3,4-trimethylazepane
CID 170630795

Frequently Asked Questions

What is the IUPAC name of ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane?
The IUPAC name of ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane (CID 177162678) is ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane.
What is the SMILES notation for ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane?
The canonical SMILES for ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane is CC.CC.CC1=C(P)C2(CCCN(C)CC2)CC1C.
What is the InChIKey of ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane?
The InChIKey is OOLSVSCANBIRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NP.2C2H6/c1-10-9-13(12(15)11(10)2)5-4-7-14(3)8-6-13;2*1-2/h10H,4-9,15H2,1-3H3;2*1-2H3.
What are the key properties of ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane?
ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane has a molecular weight of 285.46 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane is sourced from PubChem (CID 177162678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).