N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine

C14H25NO2 — CID 113370623

IUPACN-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1(C)CCCO1
InChIInChI=1S/C14H25NO2/c1-3-8-15-13(12-6-4-9-16-11-12)14(2)7-5-10-17-14/h11,13,15H,3-10H2,1-2H3
InChIKeyFCQQLKGGHQJJSR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.62
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 113370623) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID113370623
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1(C)CCCO1
InChIInChI=1S/C14H25NO2/c1-3-8-15-13(12-6-4-9-16-11-12)14(2)7-5-10-17-14/h11,13,15H,3-10H2,1-2H3
InChIKeyFCQQLKGGHQJJSR-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-Dimethoxy-2-methylpent-4-enyl)pyrrolidine
CID 134421874
N-ethyl-2-methyl-1-(oxolan-2-yl)prop-2-en-1-amine
CID 79180265
2-methyl-1-(oxolan-2-yl)-N-propylprop-2-en-1-amine
CID 79180436
3-methylidene-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 80173952
1-(2-methyloxolan-2-yl)-N-propylprop-2-en-1-amine
CID 80174235
N-ethyl-2-methyl-1-(2-methyloxolan-2-yl)prop-2-en-1-amine
CID 80174410
N-ethyl-3-methyl-1-(2-methyloxolan-2-yl)but-3-en-1-amine
CID 80174421
1-(2-methyloxolan-2-yl)-N-propylhex-5-en-1-amine
CID 80174532
2-methyl-1-(2-methyloxolan-2-yl)-N-propylprop-2-en-1-amine
CID 80174715
N,3-dimethyl-1-(2-methyloxolan-2-yl)but-3-en-1-amine
CID 80174793
N-ethyl-1-(2-methyloxolan-2-yl)hex-5-en-1-amine
CID 80174806
N-ethyl-1-(2-methyloxolan-2-yl)but-3-en-1-amine
CID 80174898

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine (CID 113370623) is N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(C1=COCCC1)C1(C)CCCO1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is FCQQLKGGHQJJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-8-15-13(12-6-4-9-16-11-12)14(2)7-5-10-17-14/h11,13,15H,3-10H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 113370623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).