N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine

C11H21NO — CID 115877007

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCC1=CCOCC1
InChIInChI=1S/C11H21NO/c1-10(2)9-12-6-3-11-4-7-13-8-5-11/h4,10,12H,3,5-9H2,1-2H3
InChIKeyACDWGKHMQQDUKU-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 115877007) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine
PubChem CID115877007
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCC1=CCOCC1
InChIInChI=1S/C11H21NO/c1-10(2)9-12-6-3-11-4-7-13-8-5-11/h4,10,12H,3,5-9H2,1-2H3
InChIKeyACDWGKHMQQDUKU-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 115896002
ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
CID 143277788
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
3-(3,6-dihydro-2H-pyran-4-yl)azetidine
CID 166469368
5-but-2-enoxy-N-(2-methylpropyl)pentan-1-amine
CID 76943511
4-(2-Methoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716250
4-(2-Ethoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716599
4-(2-Propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
CID 84717346
4-(2-Methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 103283983
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclobutanamine
CID 104005710
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 104081763
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]hex-5-en-2-amine
CID 104583559

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine (CID 115877007) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine is CC(C)CNCCC1=CCOCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is ACDWGKHMQQDUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)9-12-6-3-11-4-7-13-8-5-11/h4,10,12H,3,5-9H2,1-2H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115877007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).