3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine

C15H30N2O2 — CID 102900998

IUPAC3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
SMILESCOCC(N)CN(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H30N2O2/c1-17(10-13(16)12-18-2)11-14-6-9-15(19-14)7-4-3-5-8-15/h13-14H,3-12,16H2,1-2H3
InChIKeyJXEWEFNFADWGFS-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.77
Rot. Bonds6

About 3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine

3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine (PubChem CID 102900998) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
PubChem CID102900998
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
SMILESCOCC(N)CN(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H30N2O2/c1-17(10-13(16)12-18-2)11-14-6-9-15(19-14)7-4-3-5-8-15/h13-14H,3-12,16H2,1-2H3
InChIKeyJXEWEFNFADWGFS-UHFFFAOYSA-N
XLogP1.77
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 103140103
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900869
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)propane-1,2-diamine
CID 79920608
N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102898474
1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
CID 102899508
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896446
1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol
CID 106246735
N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 106637126
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
CID 102900988

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine (CID 102900998) is 3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine is COCC(N)CN(C)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine?
The InChIKey is JXEWEFNFADWGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-17(10-13(16)12-18-2)11-14-6-9-15(19-14)7-4-3-5-8-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine?
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine has a molecular weight of 270.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 102900998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).