but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium

C22H46FN2+ — CID 123263783

IUPACbut-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium
SMILESCC=C(C)[N+](C)(F)CCCC(CNC(C)C)C(C)(C)C(C)C(C)CC
InChIInChI=1S/C22H46FN2/c1-11-18(5)20(7)22(8,9)21(16-24-17(3)4)14-13-15-25(10,23)19(6)12-2/h12,17-18,20-21,24H,11,13-16H2,1-10H3/q+1
InChIKeyRVZNQHYJKLOULJ-UHFFFAOYSA-N
MW357.62 g/mol
LogP6.34
Rot. Bonds12

About but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium

but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium (PubChem CID 123263783) has the molecular formula C22H46FN2+ and a molecular weight of 357.62 g/mol. Its IUPAC name is but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium.

Molecular Properties

Compound Namebut-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium
PubChem CID123263783
Molecular FormulaC22H46FN2+
Molecular Weight357.62 g/mol
Exact Mass357.36
IUPAC Namebut-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium
SMILESCC=C(C)[N+](C)(F)CCCC(CNC(C)C)C(C)(C)C(C)C(C)CC
InChIInChI=1S/C22H46FN2/c1-11-18(5)20(7)22(8,9)21(16-24-17(3)4)14-13-15-25(10,23)19(6)12-2/h12,17-18,20-21,24H,11,13-16H2,1-10H3/q+1
InChIKeyRVZNQHYJKLOULJ-UHFFFAOYSA-N
XLogP6.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.62
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
CID 126692502
4-N-tert-butyl-5,5,6-trimethyl-1-N-prop-1-en-2-ylheptane-1,4-diamine
CID 135280748
5,5,6-trimethyl-4-N-propan-2-yl-1-N-prop-1-en-2-ylheptane-1,4-diamine
CID 137415695
4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine
CID 146243904
7-tert-butyl-4,8-dimethyl-N-prop-1-en-2-yldecan-5-amine
CID 155239768
3-(2,4-dimethyl-5-methylideneoctan-2-yl)-1-N,4-N-dimethyl-2-methylidene-1-N-prop-1-en-2-ylpentane-1,4-diamine
CID 156128684
(3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine
CID 163432884
2,3,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylnonane-1,9-diamine
CID 166733265
N-but-1-en-2-yl-2,3,5,7,7-pentamethyloctan-4-amine
CID 166966108
2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine
CID 167059319
N-buta-1,3-dien-2-yl-6-butan-2-yl-6-hexyl-N'-methylundecane-1,11-diamine
CID 167216309
N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine
CID 167242973

Frequently Asked Questions

What is the IUPAC name of but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium?
The IUPAC name of but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium (CID 123263783) is but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium.
What is the SMILES notation for but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium?
The canonical SMILES for but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium is CC=C(C)[N+](C)(F)CCCC(CNC(C)C)C(C)(C)C(C)C(C)CC.
What is the InChIKey of but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium?
The InChIKey is RVZNQHYJKLOULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46FN2/c1-11-18(5)20(7)22(8,9)21(16-24-17(3)4)14-13-15-25(10,23)19(6)12-2/h12,17-18,20-21,24H,11,13-16H2,1-10H3/q+1.
What are the key properties of but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium?
but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium has a molecular weight of 357.62 g/mol, XLogP of 6.34, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-yl-fluoro-methyl-[5,5,6,7-tetramethyl-4-[(propan-2-ylamino)methyl]nonyl]azanium is sourced from PubChem (CID 123263783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).