1-(oxolan-3-yl)-N-propylbut-3-en-1-amine

C11H21NO — CID 65330642

IUPAC1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1CCOC1
InChIInChI=1S/C11H21NO/c1-3-5-11(12-7-4-2)10-6-8-13-9-10/h3,10-12H,1,4-9H2,2H3
InChIKeyDXZWAHLOVUJUNV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds6

About 1-(oxolan-3-yl)-N-propylbut-3-en-1-amine

1-(oxolan-3-yl)-N-propylbut-3-en-1-amine (PubChem CID 65330642) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
PubChem CID65330642
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1CCOC1
InChIInChI=1S/C11H21NO/c1-3-5-11(12-7-4-2)10-6-8-13-9-10/h3,10-12H,1,4-9H2,2H3
InChIKeyDXZWAHLOVUJUNV-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(oxolan-3-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-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylbut-3-en-1-amine
CID 116661007
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066
1-(oxan-3-yl)-N-propyloct-7-en-1-amine
CID 107009211
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate
CID 65235685
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186
N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950
4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione
CID 104747633

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(oxolan-3-yl)-N-propylbut-3-en-1-amine (CID 65330642) is 1-(oxolan-3-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(oxolan-3-yl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-propylbut-3-en-1-amine?
The InChIKey is DXZWAHLOVUJUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-11(12-7-4-2)10-6-8-13-9-10/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 1-(oxolan-3-yl)-N-propylbut-3-en-1-amine?
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 65330642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).