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

C10H19NO — CID 115741734

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine
SMILESCCCCNCC1=CCCOC1
InChIInChI=1S/C10H19NO/c1-2-3-6-11-8-10-5-4-7-12-9-10/h5,11H,2-4,6-9H2,1H3
InChIKeyQKDJALYAMJBHPA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine (PubChem CID 115741734) 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)butan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine
PubChem CID115741734
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine
SMILESCCCCNCC1=CCCOC1
InChIInChI=1S/C10H19NO/c1-2-3-6-11-8-10-5-4-7-12-9-10/h5,11H,2-4,6-9H2,1H3
InChIKeyQKDJALYAMJBHPA-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 75481406
4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
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
1-(3,6-dihydro-2H-pyran-4-yl)-N-methylmethanamine
CID 130900413
(E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine
CID 142987860
N-[2-(3,6-dihydro-2H-pyran-5-yl)ethyl]-3,3-dimethylbutan-1-amine;molecular hydrogen
CID 143543963
(E)-2-ethyl-N-[2-[(Z,2E)-2-ethylidene-4-methylhex-3-enoxy]ethyl]but-2-en-1-amine
CID 144416470
(E)-N-ethyl-5-methoxy-3-methylhex-3-en-1-amine
CID 156192024
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole
CID 164996552

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine (CID 115741734) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine is CCCCNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine?
The InChIKey is QKDJALYAMJBHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-6-11-8-10-5-4-7-12-9-10/h5,11H,2-4,6-9H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 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)butan-1-amine is sourced from PubChem (CID 115741734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).