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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Related Compounds

2-Methylamino-6-methylhepten
CID 23616912
4-N-(3-fluoro-2-methylbutyl)-2-N-propylpenta-1,4-diene-2,4-diamine
CID 130242921
(E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine
CID 134292209
3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
CID 143513257
(4R,5S)-2-N-(2,2-dimethylpropyl)-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185610
(4R,5S)-2-N-ethyl-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185621
(4R,5S)-3,3-difluoro-4,6-dimethyl-2-N-(2,2,2-trifluoroethyl)hept-1-ene-2,5-diamine
CID 145185625
2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine
CID 155442418
(1E,3S,4E)-1-N-ethyl-7-fluoro-1-N,4-N,3,6-tetramethylcyclonona-1,4-diene-1,4-diamine
CID 163881628
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 170005371
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylhexane-1,6-diamine
CID 170005542
2-fluoro-N',3-dimethyl-N-(3-methylbut-1-en-2-yl)hexane-1,6-diamine
CID 170040888

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).