N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

C14H27NO2 — CID 62718347

IUPACN-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CC2CCOCC2)CCOC1
InChIInChI=1S/C14H27NO2/c1-2-6-15-11-14(5-9-17-12-14)10-13-3-7-16-8-4-13/h13,15H,2-12H2,1H3
InChIKeyDIBHJSYHZPSPMT-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds6

About N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62718347) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID62718347
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CC2CCOCC2)CCOC1
InChIInChI=1S/C14H27NO2/c1-2-6-15-11-14(5-9-17-12-14)10-13-3-7-16-8-4-13/h13,15H,2-12H2,1H3
InChIKeyDIBHJSYHZPSPMT-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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

N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62718836
2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62719768
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486
N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 116523691
N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62263535
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391631
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
CID 55052067
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
2-methoxy-N-[[1-(oxan-4-ylmethyl)cyclobutyl]methyl]ethanamine
CID 65196724
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-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (CID 62718347) is N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CC2CCOCC2)CCOC1.
What is the InChIKey of N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is DIBHJSYHZPSPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-6-15-11-14(5-9-17-12-14)10-13-3-7-16-8-4-13/h13,15H,2-12H2,1H3.
What are the key properties of N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62718347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).