6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid

C10H17BrN2O2 — CID 167296216

IUPAC6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid
SMILESC=C(CBr)/C(N)=N/CCCCCC(=O)O
InChIInChI=1S/C10H17BrN2O2/c1-8(7-11)10(12)13-6-4-2-3-5-9(14)15/h1-7H2,(H2,12,13)(H,14,15)
InChIKeyVGFGCZGVQZKWCT-UHFFFAOYSA-N
MW277.16 g/mol
LogP1.94
Rot. Bonds8

About 6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid

6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid (PubChem CID 167296216) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid
PubChem CID167296216
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid
SMILESC=C(CBr)/C(N)=N/CCCCCC(=O)O
InChIInChI=1S/C10H17BrN2O2/c1-8(7-11)10(12)13-6-4-2-3-5-9(14)15/h1-7H2,(H2,12,13)(H,14,15)
InChIKeyVGFGCZGVQZKWCT-UHFFFAOYSA-N
XLogP1.94
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

9-bromononanoic acid;9-(diaminomethylideneamino)nonanoic acid
CID 158146578
6-carbamoylhept-6-enoic acid
CID 172557406
34-amino-34-oxotetratriacontanoic acid
CID 139682719
11-hydroxydodec-11-enoic acid
CID 23566131
24-amino-24-oxotetracosanoic acid
CID 139682769
heptakis(decanedioic acid);ethene
CID 173236204
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
heptadecanedioic acid
CID 3083765

Frequently Asked Questions

What is the IUPAC name of 6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid?
The IUPAC name of 6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid (CID 167296216) is 6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid?
The canonical SMILES for 6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid is C=C(CBr)/C(N)=N/CCCCCC(=O)O.
What is the InChIKey of 6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid?
The InChIKey is VGFGCZGVQZKWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-8(7-11)10(12)13-6-4-2-3-5-9(14)15/h1-7H2,(H2,12,13)(H,14,15).
What are the key properties of 6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid?
6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid has a molecular weight of 277.16 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-amino-2-(bromomethyl)prop-2-enylidene]amino]hexanoic acid is sourced from PubChem (CID 167296216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).