1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine

C12H21NO — CID 116660937

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1=COCCC1
InChIInChI=1S/C12H21NO/c1-3-6-12(13-8-4-2)11-7-5-9-14-10-11/h3,10,12-13H,1,4-9H2,2H3
InChIKeyMJXRRJAZUSXPAG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.62
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine (PubChem CID 116660937) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
PubChem CID116660937
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1=COCCC1
InChIInChI=1S/C12H21NO/c1-3-6-12(13-8-4-2)11-7-5-9-14-10-11/h3,10,12-13H,1,4-9H2,2H3
InChIKeyMJXRRJAZUSXPAG-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-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

1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
CID 105033094
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine
CID 105179221
N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105179290
N-[3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 105033405
N-[3,4-dihydro-2H-pyran-5-yl-(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 113370548
N-[6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033146
N-[3,4-dihydro-2H-pyran-5-yl-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 105033007
N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 105033460
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine
CID 116717301
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105033129
N-[(2,5-dibromothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 114022189

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine (CID 116660937) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine?
The InChIKey is MJXRRJAZUSXPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-6-12(13-8-4-2)11-7-5-9-14-10-11/h3,10,12-13H,1,4-9H2,2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 116660937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).