N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine

C12H25FN2 — CID 163503304

IUPACN-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine
SMILESC/C=C(/F)C(CC)NCCN(C)CCC
InChIInChI=1S/C12H25FN2/c1-5-9-15(4)10-8-14-12(7-3)11(13)6-2/h6,12,14H,5,7-10H2,1-4H3/b11-6+
InChIKeyCWOONNGKGYJHBY-IZZDOVSWSA-N
MW216.34 g/mol
LogP2.57
Rot. Bonds8

About N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine

N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine (PubChem CID 163503304) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine
PubChem CID163503304
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC NameN-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine
SMILESC/C=C(/F)C(CC)NCCN(C)CCC
InChIInChI=1S/C12H25FN2/c1-5-9-15(4)10-8-14-12(7-3)11(13)6-2/h6,12,14H,5,7-10H2,1-4H3/b11-6+
InChIKeyCWOONNGKGYJHBY-IZZDOVSWSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine (CID 163503304) is N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine is C/C=C(/F)C(CC)NCCN(C)CCC.
What is the InChIKey of N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine?
The InChIKey is CWOONNGKGYJHBY-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H25FN2/c1-5-9-15(4)10-8-14-12(7-3)11(13)6-2/h6,12,14H,5,7-10H2,1-4H3/b11-6+.
What are the key properties of N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine?
N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine has a molecular weight of 216.34 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 163503304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).