1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine

C17H34N2O2 — CID 79907265

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H34N2O2/c1-4-19(5-2)10-6-16(18-3)15-7-11-21-17(14-15)8-12-20-13-9-17/h15-16,18H,4-14H2,1-3H3
InChIKeyQSVVCMDYXPITPC-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.28
Rot. Bonds7

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine (PubChem CID 79907265) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
PubChem CID79907265
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H34N2O2/c1-4-19(5-2)10-6-16(18-3)15-7-11-21-17(14-15)8-12-20-13-9-17/h15-16,18H,4-14H2,1-3H3
InChIKeyQSVVCMDYXPITPC-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346448
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 79915523
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 103149235
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-4-methylpentan-1-amine
CID 79915050
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911722
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 79914707
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
CID 79914979
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethylethane-1,2-diamine
CID 79898387
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215832
2-cyclopropyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 105012128
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine
CID 105323241

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine (CID 79907265) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine is CCN(CC)CCC(NC)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The InChIKey is QSVVCMDYXPITPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-19(5-2)10-6-16(18-3)15-7-11-21-17(14-15)8-12-20-13-9-17/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine has a molecular weight of 298.47 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine is sourced from PubChem (CID 79907265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).