4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine

C14H29FN2 — CID 139394923

IUPAC4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine
SMILESC=C(CCCN(C)C)NCCCC(F)C(C)C
InChIInChI=1S/C14H29FN2/c1-12(2)14(15)9-6-10-16-13(3)8-7-11-17(4)5/h12,14,16H,3,6-11H2,1-2,4-5H3
InChIKeyVHUMSNUFZDSHSW-UHFFFAOYSA-N
MW244.40 g/mol
LogP3.21
Rot. Bonds10

About 4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine

4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine (PubChem CID 139394923) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine
PubChem CID139394923
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine
SMILESC=C(CCCN(C)C)NCCCC(F)C(C)C
InChIInChI=1S/C14H29FN2/c1-12(2)14(15)9-6-10-16-13(3)8-7-11-17(4)5/h12,14,16H,3,6-11H2,1-2,4-5H3
InChIKeyVHUMSNUFZDSHSW-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
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 4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine?
The IUPAC name of 4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine (CID 139394923) is 4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine.
What is the SMILES notation for 4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine?
The canonical SMILES for 4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine is C=C(CCCN(C)C)NCCCC(F)C(C)C.
What is the InChIKey of 4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine?
The InChIKey is VHUMSNUFZDSHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-12(2)14(15)9-6-10-16-13(3)8-7-11-17(4)5/h12,14,16H,3,6-11H2,1-2,4-5H3.
What are the key properties of 4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine?
4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine has a molecular weight of 244.40 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine is sourced from PubChem (CID 139394923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).