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

C11H21NO — CID 115741757

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine
SMILESCCCCCNCC1=CCCOC1
InChIInChI=1S/C11H21NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h6,12H,2-5,7-10H2,1H3
InChIKeyMDDRFEZWUXRDSH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds6

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine (PubChem CID 115741757) 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-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine
PubChem CID115741757
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine
SMILESCCCCCNCC1=CCCOC1
InChIInChI=1S/C11H21NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h6,12H,2-5,7-10H2,1H3
InChIKeyMDDRFEZWUXRDSH-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
4-(2-Methoxyethylidene)piperidine
CID 115011443
(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine
CID 135225387
N-[2-(3,6-dihydro-2H-pyran-5-yl)ethyl]-3,3-dimethylbutan-1-amine;molecular hydrogen
CID 143543963
4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine
CID 143791987
1-(6-butan-2-yloxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 144515588
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
CID 166094131
3-[(4-methyl-3,6-dihydro-2H-pyran-6-yl)methyl]-2,5-dihydro-1H-pyrrole
CID 167165142
5-Methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 172575138

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine (CID 115741757) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine is CCCCCNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine?
The InChIKey is MDDRFEZWUXRDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h6,12H,2-5,7-10H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 6 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-1-amine is sourced from PubChem (CID 115741757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).