2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine

C13H27FN2 — CID 174307386

IUPAC2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(CC(C)/C=C\CF)C(C)CNC
InChIInChI=1S/C13H27FN2/c1-5-9-16(13(3)10-15-4)11-12(2)7-6-8-14/h6-7,12-13,15H,5,8-11H2,1-4H3/b7-6-
InChIKeyULCWPQAGJHJMMV-SREVYHEPSA-N
MW230.37 g/mol
LogP2.47
Rot. Bonds9

About 2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine

2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine (PubChem CID 174307386) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is 2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine
PubChem CID174307386
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC Name2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(CC(C)/C=C\CF)C(C)CNC
InChIInChI=1S/C13H27FN2/c1-5-9-16(13(3)10-15-4)11-12(2)7-6-8-14/h6-7,12-13,15H,5,8-11H2,1-4H3/b7-6-
InChIKeyULCWPQAGJHJMMV-SREVYHEPSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.47
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 2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine (CID 174307386) is 2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine is CCCN(CC(C)/C=C\CF)C(C)CNC.
What is the InChIKey of 2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine?
The InChIKey is ULCWPQAGJHJMMV-SREVYHEPSA-N. The full InChI is InChI=1S/C13H27FN2/c1-5-9-16(13(3)10-15-4)11-12(2)7-6-8-14/h6-7,12-13,15H,5,8-11H2,1-4H3/b7-6-.
What are the key properties of 2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine?
2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine has a molecular weight of 230.37 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-5-fluoro-2-methylpent-3-enyl]-1-N-methyl-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 174307386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).