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

C10H18FN — CID 174289668

IUPAC(1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine
SMILESCCCN(C)/C=C(/F)C=C(C)C
InChIInChI=1S/C10H18FN/c1-5-6-12(4)8-10(11)7-9(2)3/h7-8H,5-6H2,1-4H3/b10-8+
InChIKeyLXPAEPZXONLSJI-CSKARUKUSA-N
MW171.26 g/mol
LogP3.11
Rot. Bonds4

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

(1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine (PubChem CID 174289668) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine
PubChem CID174289668
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine
SMILESCCCN(C)/C=C(/F)C=C(C)C
InChIInChI=1S/C10H18FN/c1-5-6-12(4)8-10(11)7-9(2)3/h7-8H,5-6H2,1-4H3/b10-8+
InChIKeyLXPAEPZXONLSJI-CSKARUKUSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.11
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 (1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine?
The IUPAC name of (1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine (CID 174289668) is (1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine is CCCN(C)/C=C(/F)C=C(C)C.
What is the InChIKey of (1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine?
The InChIKey is LXPAEPZXONLSJI-CSKARUKUSA-N. The full InChI is InChI=1S/C10H18FN/c1-5-6-12(4)8-10(11)7-9(2)3/h7-8H,5-6H2,1-4H3/b10-8+.
What are the key properties of (1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine?
(1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine has a molecular weight of 171.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-fluoro-N,4-dimethyl-N-propylpenta-1,3-dien-1-amine is sourced from PubChem (CID 174289668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).