1-(oxolan-3-yl)-N-propylhex-5-en-1-amine

C13H25NO — CID 65329434

IUPAC1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1CCOC1
InChIInChI=1S/C13H25NO/c1-3-5-6-7-13(14-9-4-2)12-8-10-15-11-12/h3,12-14H,1,4-11H2,2H3
InChIKeyXMDKVOFYPMSBQR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds8

About 1-(oxolan-3-yl)-N-propylhex-5-en-1-amine

1-(oxolan-3-yl)-N-propylhex-5-en-1-amine (PubChem CID 65329434) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
PubChem CID65329434
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1CCOC1
InChIInChI=1S/C13H25NO/c1-3-5-6-7-13(14-9-4-2)12-8-10-15-11-12/h3,12-14H,1,4-11H2,2H3
InChIKeyXMDKVOFYPMSBQR-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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'}

Analyze 1-(oxolan-3-yl)-N-propylhex-5-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-(oxan-3-yl)-N-propyloct-7-en-1-amine
CID 107009211
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine
CID 104987009
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
1-(3,3-difluorocyclopentyl)-N-propylhex-5-en-1-amine
CID 114216364
3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 115856676
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine
CID 105147293
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(oxolan-3-yl)-N-propylhex-5-en-1-amine (CID 65329434) is 1-(oxolan-3-yl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(oxolan-3-yl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-propylhex-5-en-1-amine?
The InChIKey is XMDKVOFYPMSBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-6-7-13(14-9-4-2)12-8-10-15-11-12/h3,12-14H,1,4-11H2,2H3.
What are the key properties of 1-(oxolan-3-yl)-N-propylhex-5-en-1-amine?
1-(oxolan-3-yl)-N-propylhex-5-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 8 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-propylhex-5-en-1-amine is sourced from PubChem (CID 65329434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).