N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine

C15H29NO2 — CID 116523691

IUPACN-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CC2CCC(C)(C)O2)CCOC1
InChIInChI=1S/C15H29NO2/c1-4-8-16-11-15(7-9-17-12-15)10-13-5-6-14(2,3)18-13/h13,16H,4-12H2,1-3H3
InChIKeyIDIJQMMGLRYRDF-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds6

About N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine

N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 116523691) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID116523691
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CC2CCC(C)(C)O2)CCOC1
InChIInChI=1S/C15H29NO2/c1-4-8-16-11-15(7-9-17-12-15)10-13-5-6-14(2,3)18-13/h13,16H,4-12H2,1-3H3
InChIKeyIDIJQMMGLRYRDF-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
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-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
CID 116525124
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347
2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 102900401
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 116523652
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
CID 55052067
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62263535
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718512
N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62256256

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (CID 116523691) is N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CC2CCC(C)(C)O2)CCOC1.
What is the InChIKey of N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is IDIJQMMGLRYRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-8-16-11-15(7-9-17-12-15)10-13-5-6-14(2,3)18-13/h13,16H,4-12H2,1-3H3.
What are the key properties of N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 116523691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).