bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane

C40H88N4 — CID 158874676

IUPACbis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane
SMILESCC.CC.CC.CC.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2
InChIInChI=1S/2C16H32N2.4C2H6/c2*1-14(2)11-17-8-5-16(6-9-17)7-10-18(13-16)12-15(3)4;4*1-2/h2*14-15H,5-13H2,1-4H3;4*1-2H3
InChIKeyJCHAVZLASDSFRN-UHFFFAOYSA-N
MW625.17 g/mol
LogP10.28
Rot. Bonds8

About bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane

bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane (PubChem CID 158874676) has the molecular formula C40H88N4 and a molecular weight of 625.17 g/mol. Its IUPAC name is bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane.

Molecular Properties

Compound Namebis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane
PubChem CID158874676
Molecular FormulaC40H88N4
Molecular Weight625.17 g/mol
Exact Mass624.70
IUPAC Namebis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane
SMILESCC.CC.CC.CC.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2
InChIInChI=1S/2C16H32N2.4C2H6/c2*1-14(2)11-17-8-5-16(6-9-17)7-10-18(13-16)12-15(3)4;4*1-2/h2*14-15H,5-13H2,1-4H3;4*1-2H3
InChIKeyJCHAVZLASDSFRN-UHFFFAOYSA-N
XLogP10.28
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.17
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(2,3-Diethyl-2,3-dimethyl-5-azoniaspiro[4.5]decan-8-yl)methyl]-2,3-diethyl-2,3-dimethyl-5-azoniaspiro[4.5]decane
CID 59110829
3-Methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane
CID 123412003
Ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine
CID 142061645
3-Methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane
CID 145661399
2-Tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146548379
8-Tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146549060
Ethane;2-methyl-8-[(1-methylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 153544391
2-Methyl-8-[(1-methylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 153544392
8-Methyl-2-[(1-methylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 155218366
2-Methyl-8-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 155218367
8-Methyl-2-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 155218371
8-Propan-2-yl-2-[5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)hexan-2-yl]-2,8-diazaspiro[4.5]decane
CID 155277857

Frequently Asked Questions

What is the IUPAC name of bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane?
The IUPAC name of bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane (CID 158874676) is bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane.
What is the SMILES notation for bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane?
The canonical SMILES for bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane is CC.CC.CC.CC.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2.CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2.
What is the InChIKey of bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane?
The InChIKey is JCHAVZLASDSFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H32N2.4C2H6/c2*1-14(2)11-17-8-5-16(6-9-17)7-10-18(13-16)12-15(3)4;4*1-2/h2*14-15H,5-13H2,1-4H3;4*1-2H3.
What are the key properties of bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane?
bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane has a molecular weight of 625.17 g/mol, XLogP of 10.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane is sourced from PubChem (CID 158874676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).