N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine

C13H19FN2 — CID 115895296

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1ncccc1F
InChIInChI=1S/C13H19FN2/c1-4-6-10(2)11(3)16-9-13-12(14)7-5-8-15-13/h4-5,7-8,10-11,16H,1,6,9H2,2-3H3
InChIKeyZQWQAYMGYNXWDZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.91
Rot. Bonds6

About N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine

N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine (PubChem CID 115895296) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine
PubChem CID115895296
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1ncccc1F
InChIInChI=1S/C13H19FN2/c1-4-6-10(2)11(3)16-9-13-12(14)7-5-8-15-13/h4-5,7-8,10-11,16H,1,6,9H2,2-3H3
InChIKeyZQWQAYMGYNXWDZ-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine (CID 115895296) is N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine is C=CCC(C)C(C)NCc1ncccc1F.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine?
The InChIKey is ZQWQAYMGYNXWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-4-6-10(2)11(3)16-9-13-12(14)7-5-8-15-13/h4-5,7-8,10-11,16H,1,6,9H2,2-3H3.
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine?
N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine has a molecular weight of 222.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine is sourced from PubChem (CID 115895296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).