N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine

C14H28FNO — CID 166686147

IUPACN-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine
SMILESC=CC(C)OCCCN(CCCC)CCCF
InChIInChI=1S/C14H28FNO/c1-4-6-10-16(11-7-9-15)12-8-13-17-14(3)5-2/h5,14H,2,4,6-13H2,1,3H3
InChIKeyIWTRRCDQXKDNKH-UHFFFAOYSA-N
MW245.38 g/mol
LogP3.43
Rot. Bonds12

About N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine

N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine (PubChem CID 166686147) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine.

Molecular Properties

Compound NameN-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine
PubChem CID166686147
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC NameN-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine
SMILESC=CC(C)OCCCN(CCCC)CCCF
InChIInChI=1S/C14H28FNO/c1-4-6-10-16(11-7-9-15)12-8-13-17-14(3)5-2/h5,14H,2,4,6-13H2,1,3H3
InChIKeyIWTRRCDQXKDNKH-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
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 N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-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

Frequently Asked Questions

What is the IUPAC name of N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine?
The IUPAC name of N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine (CID 166686147) is N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine.
What is the SMILES notation for N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine?
The canonical SMILES for N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine is C=CC(C)OCCCN(CCCC)CCCF.
What is the InChIKey of N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine?
The InChIKey is IWTRRCDQXKDNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO/c1-4-6-10-16(11-7-9-15)12-8-13-17-14(3)5-2/h5,14H,2,4,6-13H2,1,3H3.
What are the key properties of N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine?
N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine has a molecular weight of 245.38 g/mol, XLogP of 3.43, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine is sourced from PubChem (CID 166686147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).