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

C11H21NO — CID 115741720

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCC1=CCCOC1
InChIInChI=1S/C11H21NO/c1-3-5-10(2)12-8-11-6-4-7-13-9-11/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyFOSPGQCKFKKMHR-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds5

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine (PubChem CID 115741720) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
PubChem CID115741720
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCC1=CCCOC1
InChIInChI=1S/C11H21NO/c1-3-5-10(2)12-8-11-6-4-7-13-9-11/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyFOSPGQCKFKKMHR-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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-fluoropropan-1-amine
CID 115742343
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115757862
(2Z)-2-ethylidene-3-methoxy-3-N-propan-2-ylbutane-1,3-diamine
CID 146223301
(E)-3-ethyl-5-methoxy-N-propan-2-ylhex-3-en-1-amine
CID 156192030
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
CID 166094131
N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
CID 170083666
N-Cyclohexyl-4-methyl-3,6-dihydro-2H-pyran-3-amine
CID 13530832
[(5,6-dihydro-2H-pyran-3-yl)methyl](methyl)amine
CID 53399302
5-ethoxy-4-methyl-N-propylpent-3-en-1-amine
CID 79597967
4-methyl-5-propoxy-N-propylpent-3-en-1-amine
CID 79598097
5-ethoxy-N-ethyl-4-methylpent-3-en-1-amine
CID 79598595

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine (CID 115741720) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine is CCCC(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine?
The InChIKey is FOSPGQCKFKKMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-10(2)12-8-11-6-4-7-13-9-11/h6,10,12H,3-5,7-9H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 5 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)pentan-2-amine is sourced from PubChem (CID 115741720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).