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

C15H30N2O2 — CID 115346448

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H30N2O2/c1-16-14(4-8-17(2)3)13-5-9-19-15(12-13)6-10-18-11-7-15/h13-14,16H,4-12H2,1-3H3
InChIKeyBBURVABEVZHLOI-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds5

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

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 115346448) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine
PubChem CID115346448
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H30N2O2/c1-16-14(4-8-17(2)3)13-5-9-19-15(12-13)6-10-18-11-7-15/h13-14,16H,4-12H2,1-3H3
InChIKeyBBURVABEVZHLOI-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
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'-diethyl-N-methylpropane-1,3-diamine
CID 79907265
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 79915523
3-hydrazinyl-N,N-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 105259412
3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 103149235
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105259141
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
CID 79914979
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)-N-ethyl-3-methylbutan-1-amine
CID 79914707
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
CID 116660522

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine (CID 115346448) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine is CNC(CCN(C)C)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is BBURVABEVZHLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-16-14(4-8-17(2)3)13-5-9-19-15(12-13)6-10-18-11-7-15/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 270.42 g/mol, XLogP of 1.50, 5 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',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115346448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).