N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

C14H27NO2 — CID 114534581

IUPACN-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CC2CCCO2)CCOC1C
InChIInChI=1S/C14H27NO2/c1-3-7-15-11-14(6-9-16-12(14)2)10-13-5-4-8-17-13/h12-13,15H,3-11H2,1-2H3
InChIKeyPPVYUEBWTGLPMH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds6

About N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 114534581) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID114534581
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CC2CCCO2)CCOC1C
InChIInChI=1S/C14H27NO2/c1-3-7-15-11-14(6-9-16-12(14)2)10-13-5-4-8-17-13/h12-13,15H,3-11H2,1-2H3
InChIKeyPPVYUEBWTGLPMH-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane
CID 114535731
N-[[2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 102900551
2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535177
N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine
CID 114534548
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine
CID 114534503
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534513
N-[[2-cyclopropyl-3-(trimethylsilylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106323947
2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
CID 114533651
N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534558
N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114933906
N-[(1-methylcyclopentyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163534

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (CID 114534581) is N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CC2CCCO2)CCOC1C.
What is the InChIKey of N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is PPVYUEBWTGLPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-7-15-11-14(6-9-16-12(14)2)10-13-5-4-8-17-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114534581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).