N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine

C13H25NO2 — CID 115742008

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine
SMILESCC(C)COCC(C)NCC1=CCCOC1
InChIInChI=1S/C13H25NO2/c1-11(2)8-16-9-12(3)14-7-13-5-4-6-15-10-13/h5,11-12,14H,4,6-10H2,1-3H3
InChIKeyZOPWNAVGFBNLPB-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.98
Rot. Bonds7

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine (PubChem CID 115742008) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine
PubChem CID115742008
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine
SMILESCC(C)COCC(C)NCC1=CCCOC1
InChIInChI=1S/C13H25NO2/c1-11(2)8-16-9-12(3)14-7-13-5-4-6-15-10-13/h5,11-12,14H,4,6-10H2,1-3H3
InChIKeyZOPWNAVGFBNLPB-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 115741802
N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
CID 170083666
1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
CID 79179708
4-methyl-1-propoxy-N-propylpent-3-en-2-amine
CID 79190633
N-(2-methoxyethyl)-4-methyl-5-propoxypent-3-en-1-amine
CID 79607074
N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine
CID 79607232
5-ethoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607235
5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607482
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227336
(2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol
CID 103816346
(3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
CID 103854812
(2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
CID 103924414

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine (CID 115742008) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine is CC(C)COCC(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine?
The InChIKey is ZOPWNAVGFBNLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)8-16-9-12(3)14-7-13-5-4-6-15-10-13/h5,11-12,14H,4,6-10H2,1-3H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine has a molecular weight of 227.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine is sourced from PubChem (CID 115742008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).