N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine

C11H19NO — CID 115742097

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine
SMILESC=CCC(C)NCC1=CCCOC1
InChIInChI=1S/C11H19NO/c1-3-5-10(2)12-8-11-6-4-7-13-9-11/h3,6,10,12H,1,4-5,7-9H2,2H3
InChIKeyUXSKBMMOXZHGSS-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds5

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine (PubChem CID 115742097) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine
PubChem CID115742097
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine
SMILESC=CCC(C)NCC1=CCCOC1
InChIInChI=1S/C11H19NO/c1-3-5-10(2)12-8-11-6-4-7-13-9-11/h3,6,10,12H,1,4-5,7-9H2,2H3
InChIKeyUXSKBMMOXZHGSS-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
(Z,2E)-5-[(1R)-cyclohexa-2,4-dien-1-yl]oxy-2-ethylidene-N-methylpent-3-en-1-amine
CID 89519127
N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 123449523
[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(propan-2-ylamino)ethyl] cyanate
CID 134502654
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine
CID 150497585
N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
CID 170083666
[(5,6-dihydro-2H-pyran-3-yl)methyl](methyl)amine
CID 53399302
(E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79341132
5-ethoxy-N-propan-2-ylpent-3-en-1-amine
CID 79591339
N-propan-2-yl-5-propoxypent-3-en-1-amine
CID 79591616
5-methoxy-N-propan-2-ylpent-3-en-1-amine
CID 79592304

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine (CID 115742097) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine is C=CCC(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine?
The InChIKey is UXSKBMMOXZHGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-10(2)12-8-11-6-4-7-13-9-11/h3,6,10,12H,1,4-5,7-9H2,2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-4-en-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.89, 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)pent-4-en-2-amine is sourced from PubChem (CID 115742097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).