N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine

C7H13NO — CID 59398020

IUPACN,6-dimethyl-3,6-dihydro-2H-pyran-3-amine
SMILESCNC1C=CC(C)OC1
InChIInChI=1S/C7H13NO/c1-6-3-4-7(8-2)5-9-6/h3-4,6-8H,5H2,1-2H3
InChIKeyWHNXRBWWIQTDDG-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds1

About N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine

N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine (PubChem CID 59398020) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound NameN,6-dimethyl-3,6-dihydro-2H-pyran-3-amine
PubChem CID59398020
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN,6-dimethyl-3,6-dihydro-2H-pyran-3-amine
SMILESCNC1C=CC(C)OC1
InChIInChI=1S/C7H13NO/c1-6-3-4-7(8-2)5-9-6/h3-4,6-8H,5H2,1-2H3
InChIKeyWHNXRBWWIQTDDG-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
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

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CID 166440654
(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine
CID 145312229
3,6-dihydro-2H-pyran-3-amine;hydrochloride
CID 177798600
6-Methoxycyclohexa-2,4-dien-1-amine
CID 23505191
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
3-Methoxy-1,2,3,6-tetrahydropyridine
CID 68102964
2-Prop-1-enylmorpholine
CID 68592425
6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 89209439
1-(2,5-dihydrofuran-2-yl)-N-methylmethanamine
CID 89285095
N-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]-N'-ethyl-N'-methylpropane-1,3-diamine
CID 90861531
N'-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]propane-1,3-diamine
CID 90894278
N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
CID 91094343

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine?
The IUPAC name of N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine (CID 59398020) is N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine.
What is the SMILES notation for N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine?
The canonical SMILES for N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine is CNC1C=CC(C)OC1.
What is the InChIKey of N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine?
The InChIKey is WHNXRBWWIQTDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-3-4-7(8-2)5-9-6/h3-4,6-8H,5H2,1-2H3.
What are the key properties of N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine?
N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 59398020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).