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

C10H19NO — CID 115741733

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1=CCCOC1
InChIInChI=1S/C10H19NO/c1-9(2)6-11-7-10-4-3-5-12-8-10/h4,9,11H,3,5-8H2,1-2H3
InChIKeyZMGJEKKDBFQVFQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine (PubChem CID 115741733) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine
PubChem CID115741733
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1=CCCOC1
InChIInChI=1S/C10H19NO/c1-9(2)6-11-7-10-4-3-5-12-8-10/h4,9,11H,3,5-8H2,1-2H3
InChIKeyZMGJEKKDBFQVFQ-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3,3,3-trifluoropropan-1-amine
CID 115742219
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115757862
6-Methoxy-3-methyl-1,2,3,6-tetrahydropyridine
CID 89642580
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
[(5,6-dihydro-2H-pyran-3-yl)methyl](methyl)amine
CID 53399302
N-ethyl-5-propoxypent-3-en-1-amine
CID 79590570
5-ethoxy-N-ethylpent-3-en-1-amine
CID 79590825
5-ethoxy-N-propylpent-3-en-1-amine
CID 79590841
5-propoxy-N-propylpent-3-en-1-amine
CID 79591074
4-methyl-5-propan-2-yloxy-N-propylpent-3-en-1-amine
CID 79597963
5-ethoxy-4-methyl-N-propylpent-3-en-1-amine
CID 79597967

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine (CID 115741733) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine is CC(C)CNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is ZMGJEKKDBFQVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)6-11-7-10-4-3-5-12-8-10/h4,9,11H,3,5-8H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115741733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).