N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine

C14H28N2O — CID 113291213

IUPACN',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
SMILESCN(C)CCC(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H28N2O/c1-16(2)9-5-13(15)12-6-10-17-14(11-12)7-3-4-8-14/h12-13H,3-11,15H2,1-2H3
InChIKeyJNAWJIKMDDEUSK-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds4

About N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine

N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine (PubChem CID 113291213) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
PubChem CID113291213
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
SMILESCN(C)CCC(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H28N2O/c1-16(2)9-5-13(15)12-6-10-17-14(11-12)7-3-4-8-14/h12-13H,3-11,15H2,1-2H3
InChIKeyJNAWJIKMDDEUSK-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
3-hydrazinyl-N,N-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 105259412
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 114211655
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 113391352
3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103148828
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
CID 113291179
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine (CID 113291213) is N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine is CN(C)CCC(N)C1CCOC2(CCCC2)C1.
What is the InChIKey of N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine?
The InChIKey is JNAWJIKMDDEUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(2)9-5-13(15)12-6-10-17-14(11-12)7-3-4-8-14/h12-13H,3-11,15H2,1-2H3.
What are the key properties of N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine?
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine is sourced from PubChem (CID 113291213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).