N-(3-fluoropropyl)-N-methylbut-3-en-1-amine

C8H16FN — CID 130708472

IUPACN-(3-fluoropropyl)-N-methylbut-3-en-1-amine
SMILESC=CCCN(C)CCCF
InChIInChI=1S/C8H16FN/c1-3-4-7-10(2)8-5-6-9/h3H,1,4-8H2,2H3
InChIKeyQBKQZXIRQIMMDD-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.85
Rot. Bonds6

About N-(3-fluoropropyl)-N-methylbut-3-en-1-amine

N-(3-fluoropropyl)-N-methylbut-3-en-1-amine (PubChem CID 130708472) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N-methylbut-3-en-1-amine
PubChem CID130708472
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC NameN-(3-fluoropropyl)-N-methylbut-3-en-1-amine
SMILESC=CCCN(C)CCCF
InChIInChI=1S/C8H16FN/c1-3-4-7-10(2)8-5-6-9/h3H,1,4-8H2,2H3
InChIKeyQBKQZXIRQIMMDD-UHFFFAOYSA-N
XLogP1.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N-methylbut-3-en-1-amine?
The IUPAC name of N-(3-fluoropropyl)-N-methylbut-3-en-1-amine (CID 130708472) is N-(3-fluoropropyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for N-(3-fluoropropyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for N-(3-fluoropropyl)-N-methylbut-3-en-1-amine is C=CCCN(C)CCCF.
What is the InChIKey of N-(3-fluoropropyl)-N-methylbut-3-en-1-amine?
The InChIKey is QBKQZXIRQIMMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-4-7-10(2)8-5-6-9/h3H,1,4-8H2,2H3.
What are the key properties of N-(3-fluoropropyl)-N-methylbut-3-en-1-amine?
N-(3-fluoropropyl)-N-methylbut-3-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 130708472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).