3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine

C10H18FN — CID 123329761

IUPAC3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine
SMILESC=CC(F)=C(C)CN(C)CCC
InChIInChI=1S/C10H18FN/c1-5-7-12(4)8-9(3)10(11)6-2/h6H,2,5,7-8H2,1,3-4H3
InChIKeyBDHDGLOOZOGJRG-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.76
Rot. Bonds5

About 3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine

3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine (PubChem CID 123329761) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine
PubChem CID123329761
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine
SMILESC=CC(F)=C(C)CN(C)CCC
InChIInChI=1S/C10H18FN/c1-5-7-12(4)8-9(3)10(11)6-2/h6H,2,5,7-8H2,1,3-4H3
InChIKeyBDHDGLOOZOGJRG-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine?
The IUPAC name of 3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine (CID 123329761) is 3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine.
What is the SMILES notation for 3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine?
The canonical SMILES for 3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine is C=CC(F)=C(C)CN(C)CCC.
What is the InChIKey of 3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine?
The InChIKey is BDHDGLOOZOGJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-5-7-12(4)8-9(3)10(11)6-2/h6H,2,5,7-8H2,1,3-4H3.
What are the key properties of 3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine?
3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine is sourced from PubChem (CID 123329761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).