N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine

C14H30FN3 — CID 123613672

IUPACN'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine
SMILESC=C(F)C(C)C(C)C(CCC)NCN(C)CNC
InChIInChI=1S/C14H30FN3/c1-7-8-14(12(3)11(2)13(4)15)17-10-18(6)9-16-5/h11-12,14,16-17H,4,7-10H2,1-3,5-6H3
InChIKeyJDZYOGVOSILVCP-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.57
Rot. Bonds10

About N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine

N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine (PubChem CID 123613672) has the molecular formula C14H30FN3 and a molecular weight of 259.41 g/mol. Its IUPAC name is N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine
PubChem CID123613672
Molecular FormulaC14H30FN3
Molecular Weight259.41 g/mol
Exact Mass259.24
IUPAC NameN'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine
SMILESC=C(F)C(C)C(C)C(CCC)NCN(C)CNC
InChIInChI=1S/C14H30FN3/c1-7-8-14(12(3)11(2)13(4)15)17-10-18(6)9-16-5/h11-12,14,16-17H,4,7-10H2,1-3,5-6H3
InChIKeyJDZYOGVOSILVCP-UHFFFAOYSA-N
XLogP2.57
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine?
The IUPAC name of N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine (CID 123613672) is N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine is C=C(F)C(C)C(C)C(CCC)NCN(C)CNC.
What is the InChIKey of N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine?
The InChIKey is JDZYOGVOSILVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30FN3/c1-7-8-14(12(3)11(2)13(4)15)17-10-18(6)9-16-5/h11-12,14,16-17H,4,7-10H2,1-3,5-6H3.
What are the key properties of N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine?
N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine has a molecular weight of 259.41 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(7-fluoro-5,6-dimethyloct-7-en-4-yl)amino]methyl]-N,N'-dimethylmethanediamine is sourced from PubChem (CID 123613672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).