(E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine

C10H21FN2 — CID 126605050

IUPAC(E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine
SMILESC/C(=C\N(C)C)N(C)CCCCF
InChIInChI=1S/C10H21FN2/c1-10(9-12(2)3)13(4)8-6-5-7-11/h9H,5-8H2,1-4H3/b10-9+
InChIKeyHVZPOIMEBABRPE-MDZDMXLPSA-N
MW188.29 g/mol
LogP2.09
Rot. Bonds6

About (E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine

(E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine (PubChem CID 126605050) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is (E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine
PubChem CID126605050
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name(E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine
SMILESC/C(=C\N(C)C)N(C)CCCCF
InChIInChI=1S/C10H21FN2/c1-10(9-12(2)3)13(4)8-6-5-7-11/h9H,5-8H2,1-4H3/b10-9+
InChIKeyHVZPOIMEBABRPE-MDZDMXLPSA-N
XLogP2.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine?
The IUPAC name of (E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine (CID 126605050) is (E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine is C/C(=C\N(C)C)N(C)CCCCF.
What is the InChIKey of (E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine?
The InChIKey is HVZPOIMEBABRPE-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H21FN2/c1-10(9-12(2)3)13(4)8-6-5-7-11/h9H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine?
(E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine has a molecular weight of 188.29 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine is sourced from PubChem (CID 126605050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).